SCHEMBL19909182

SCHEMBL19909182

Cc1cc(-c2cc(-n3c4cc(-n5c6ccccc6c6ccccc65)ccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C#N)cc2-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
HPGD P15428 8/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 9/20 0.34
GAA P10253 5/20 0.34
HSD17B10 Q99714 4/20 0.33
GLA P06280 3/20 0.33
MAT2A P31153 2/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
CASP7 P55210 1/20 0.33
IMPDH2 P12268 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32

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
SCHEMBL19913222 1.00 ALDH1A1 (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL22170373 0.93 ALDH1A1 (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL31273809 0.90 ALDH1A1 (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL31273488 0.90 ALDH1A1 (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL19913217 0.90 KDM4E (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL22170397 0.90 KDM4E (0.36) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL23487721 0.89 ALDH1A1 (0.34) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL22563472 0.89 ALDH1A1 (0.34) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA
SCHEMBL19909516 0.89 PTGER4 (0.35) ALDH1A1HPGDMAPK1CYP1A2CYP2C9
SCHEMBL19909528 0.88 CYP1A2 (0.38) ALDH1A1HPGDMAPK1SMN1; SMN2LMNA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 US disclosed
US-10665792-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2020-05-26 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
US-20180062085-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-03-01 US disclosed
EP-3287451-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-02-28 EP 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 (3 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 ALDH1A1 297/4885HPGD 2205/4885MAPK1 3511/4885
US-10665792-B2 Organic molecules for use in optoelectronic devices OR10J3, CFD, AOX1 ALDH1A1 882/4885HPGD 836/4885MAPK1 1822/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 ALDH1A1 297/4885HPGD 2205/4885MAPK1 3511/4885

“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.