SCHEMBL15856481

SCHEMBL15856481

Cc1ccc(C#N)cc1-c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.49
CYP19A1 P11511 2/20 0.44
METAP2 P50579 1/20 0.44
ALDH1A1 P00352 4/20 0.44
ATM Q13315 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
TSHR P16473 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
HPGD P15428 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL29788076 1.00 PTGDR2 (0.49) PTGDR2CYP19A1METAP2ALDH1A1ATM
SCHEMBL2572264 0.85 ESR2 (0.53) PTGDR2CYP19A1ALDH1A1ATMCYP11B1
SCHEMBL10074338 0.84 ADORA2A (0.44) ALDH1A1CYP11B1CYP11B2TSHRHPGD
SCHEMBL18934546 0.82 AR (0.46) PTGDR2ALDH1A1CYP11B1CYP11B2TSHR
SCHEMBL3422472 0.82 PTGDR2 (0.53) PTGDR2CYP19A1METAP2CYP11B1CYP11B2
SCHEMBL31384804 0.82 GABRA1 (0.46) PTGDR2ALDH1A1CYP11B1CYP11B2GABRA1
SCHEMBL25871771 0.81 ALDH1A1 (0.48) PTGDR2ALDH1A1ATMCYP11B2TSHR
SCHEMBL17540171 0.81 CYP11B2 (0.55) CYP19A1CYP11B1CYP11B2TSHRHPGD
SCHEMBL2324271 0.81 KDM4E (0.40) PTGDR2ALDH1A1ATMHPGDKDM4E
SCHEMBL24017160 0.80 METAP2 (0.50) PTGDR2CYP19A1METAP2ALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
US-11858952-B2 Compound and color conversion film comprising same LG CHEM, LTD. (KR) 2024-01-02 US disclosed
EP-4119634-B1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME SFC CO LTD (KR) 2023-09-20 EP disclosed
US-20230118804-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2023-04-20 US disclosed
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME LG CHEM, LTD. (KR) 2021-11-11 US disclosed
US-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-07-25 US disclosed
US-20190097143-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2019-03-28 US disclosed
US-9818952-B2 Condensed cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-14 US disclosed
US-20170098780-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-04-06 US disclosed
US-20140183468-A1 PYRENE-BASED COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-07-03 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 (6 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-20190229276-A1 CONDENSED CYCLIC COMPOUND, COMPOSITION INCLUDING THE CONDENSED CYCLIC COMPOUND, AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING CONDENSED CYCLIC COMPOUND CRY1, CCNT1, CCND2 PTGDR2 1789/4885CYP19A1 150/4885METAP2 4824/4885
US-20170098780-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, RCOR1, CCNT1 PTGDR2 1921/4885CYP19A1 59/4885METAP2 4692/4885
US-20210347790-A1 COMPOUND AND COLOR CONVERSION FILM COMPRISING SAME BLVRB, CDYL, CRY1 PTGDR2 4010/4885CYP19A1 146/4885METAP2 1071/4885
US-20230118804-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CCNT1, RCOR1 PTGDR2 1356/4885CYP19A1 29/4885METAP2 4779/4885
US-11858952-B2 Compound and color conversion film comprising same BLVRB, CDYL, CRY1 PTGDR2 4010/4885CYP19A1 146/4885METAP2 1071/4885
US-20190097143-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, RCOR1, CCNT1 PTGDR2 1921/4885CYP19A1 59/4885METAP2 4692/4885

“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.