SCHEMBL19429021

SCHEMBL19429021

C=Cc1ccc(COCC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 2/20 0.33
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 2/20 0.32
KMT2A Q03164 2/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
ESR1 P03372 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31
TACR1 P25103 1/20 0.30
TRPA1 O75762 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19434103 0.84 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14102603 0.84 ALDH1A1 (0.39) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL28552350 0.83 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14582686 0.82 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL5066935 0.82 ALDH1A1 (0.55) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7794936 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EPOLBTSHRKMT2A
SCHEMBL16761900 0.81 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18561111 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBKMT2AGAA
SCHEMBL15292610 0.80 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6751395 0.80 KDM4E (0.42) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 US disclosed
US-20230309369-A1 Organic Light-Emitting Device LG CHEM, LTD. (KR) 2023-09-28 US disclosed
US-11765921-B2 Ionic compound, and coating composition and organic light-emitting device comprising same LG CHEM, LTD. 2023-09-19 US disclosed
US-11765921-B2 Ionic compound, and coating composition and organic light-emitting device comprising same LG CHEM, LTD. 2023-09-19 US disclosed
US-11737300-B2 Coating composition and organic light-emitting device LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-11737300-B2 Coating composition and organic light-emitting device LG CHEM, LTD. (KR) 2023-08-22 US disclosed
US-11711971-B2 Ink composition and method for manufacturing organic light emitting device LG CHEM, LTD. 2023-07-25 US disclosed
US-11711971-B2 Ink composition and method for manufacturing organic light emitting device LG CHEM, LTD. 2023-07-25 US disclosed
US-11581490-B2 Organic light emitting diode LG CHEM, LTD. 2023-02-14 US disclosed
US-11572346-B2 Compound, coating composition comprising same, and organic light-emitting device LG CHEM, LTD. 2023-02-07 US disclosed
US-20200239610-A1 Polymer, Coating Composition Comprising Same, and Organic Light-Emitting Device Using Same LG CHEM, LTD. (KR) 2020-07-30 US disclosed
US-20200227645-A1 Ionic Compound, And Coating Composition And Organic Light-emitting Device Comprising Same LG CHEM, LTD. (KR) 2020-07-16 US disclosed
US-10573819-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2020-02-25 US disclosed
US-20200055803-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME LG CHEM, LTD. (KR) 2020-02-20 US disclosed
US-20200052220-A1 Compound, Coating Composition Comprising Same, Organic Light Emitting Device Using Same, and Manufacturing Method Thereof LG CHEM, LTD. (KR) 2020-02-13 US disclosed
US-20190280206-A1 Coating Composition And Organic Light-emitting Device LG CHEM, LTD. (KR) 2019-09-12 US disclosed
US-20190237669-A1 Fluorine-based Compound, Organic Light-emitting Device Using Same and Method for Preparing Same LG CHEM, LTD. (KR) 2019-08-01 US disclosed
US-20190127327-A1 Carbazole Derivative And Organic Light Emitting Element Using Same LG CHEM, LTD. (KR) 2019-05-02 US disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2017-10-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190237669-A1 Fluorine-based Compound, Organic Light-emitting Device Using Same and Method for Preparing Same AFF1, LEF1, AFF2 ALDH1A1 99/4885CHRNB2 2359/4885CHRNB4 3281/4885
US-10573819-B2 Compound for organic electronic element, organic electronic element comprising the same, and electronic device thereof OCIAD1, GPX1, PIEZO1 ALDH1A1 453/4885CHRNB2 2635/4885CHRNB4 2410/4885
US-20170288148-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF OCIAD1, GPX1, PIEZO1 ALDH1A1 453/4885CHRNB2 2635/4885CHRNB4 2410/4885
US-20200052220-A1 Compound, Coating Composition Comprising Same, Organic Light Emitting Device Using Same, and Manufacturing Method Thereof SEM1, FTO, SETDB1 ALDH1A1 39/4885CHRNB2 2490/4885CHRNB4 3307/4885
US-11572346-B2 Compound, coating composition comprising same, and organic light-emitting device OR10J3, CRY1, CRY2 ALDH1A1 1186/4885CHRNB2 1406/4885CHRNB4 1741/4885
US-20200227645-A1 Ionic Compound, And Coating Composition And Organic Light-emitting Device Comprising Same OR10J3, ORC3, CD59 ALDH1A1 2311/4885CHRNB2 448/4885CHRNB4 612/4885
US-11765921-B2 Ionic compound, and coating composition and organic light-emitting device comprising same OR10J3, ORC3, CD59 ALDH1A1 2311/4885CHRNB2 448/4885CHRNB4 612/4885
US-20190127327-A1 Carbazole Derivative And Organic Light Emitting Element Using Same CYP1A1, CYP2C19, CRY1 ALDH1A1 51/4885CHRNB2 1758/4885CHRNB4 2391/4885
US-20200055803-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME SEM1, SETDB1, GPS1 ALDH1A1 63/4885CHRNB2 2259/4885CHRNB4 3133/4885
US-11737300-B2 Coating composition and organic light-emitting device CD59, CLTB, EPCAM ALDH1A1 2135/4885CHRNB2 368/4885CHRNB4 490/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.