SCHEMBL14281968

SCHEMBL14281968

CCc1cc(Br)c2ccc3c(CC)cc(Br)c4ccc1c2c43

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
HSD17B3 P37058 1/20 0.38
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 5/20 0.33
MAPT P10636 3/20 0.33
SLC22A12 Q96S37 3/20 0.33
TTR P02766 2/20 0.33
EYA3 Q99504 2/20 0.33
CYP1B1 Q16678 1/20 0.33
ESR1 P03372 3/20 0.32
ESR2 Q92731 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
LMNA P02545 2/20 0.32
POLB P06746 2/20 0.30
TSHR P16473 2/20 0.30
GNG2 P59768 1/20 0.30
GNB1 P62873 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
SCHEMBL30320265 1.00 GABRA1 (0.39) GABRA1GABRB2HSD17B3ALDH1A1KDM4E
SCHEMBL5442460 0.89 CYP1B1 (0.34) GABRA1GABRB2HSD17B3ALDH1A1HPGD
SCHEMBL28174921 0.89 MEN1 (0.35) GABRA1GABRB2HSD17B3ALDH1A1KDM4E
SCHEMBL28569644 0.83 HSD17B3 (0.39) GABRA1GABRB2HSD17B3ALDH1A1KDM4E
SCHEMBL21037083 0.83 HSD17B3 (0.40) HSD17B3ALDH1A1KDM4EHPGDMAPT
SCHEMBL16632779 0.77 GABRA1 (0.36) GABRA1GABRB2TBXA2R
SCHEMBL2814697 0.77 TYR (0.42) ALDH1A1KDM4EMAPTESR1MEN1
SCHEMBL2815176 0.77 TYR (0.42) ALDH1A1KDM4EMAPTESR1MEN1
SCHEMBL2813389 0.77 TYR (0.42) ALDH1A1KDM4EMAPTESR1MEN1
SCHEMBL4585477 0.75 TYR (0.41) ALDH1A1KDM4EMAPTESR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110249030-B Organic electroluminescent device 材料科学有限公司 2023-04-18 CN disclosed
US-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME MATERIAL SCIENCE CO., LTD. (KR) 2019-01-03 US disclosed
WO-2018128470-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2018-07-12 WO disclosed
WO-2017116169-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 머티어리얼사이언스 주식회사 2017-07-06 WO disclosed
US-20080015399-A1 1,6-Substituted 3,8-Dihalogenopyrene And Process For Producing The Same IDEMITSU KOSAN CO., LTD. (JP) 2008-01-17 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 (2 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-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OCIAD1, OCIAD2, ORC3 GABRA1 4582/4885GABRB2 4299/4885HSD17B3 2507/4885
US-20080015399-A1 1,6-Substituted 3,8-Dihalogenopyrene And Process For Producing The Same CCNL2, CYP1A1, AHR GABRA1 4725/4885GABRB2 4772/4885HSD17B3 3428/4885

“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.