SCHEMBL12433587

SCHEMBL12433587

Cc1ccc2cc3c(cc2c1)oc1cc(C)ccc13

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.50
CYP1A2 P05177 4/20 0.50
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 6/20 0.43
MAOB P27338 2/20 0.42
DYRK1A Q13627 1/20 0.41
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 5/20 0.40
HSD17B10 Q99714 4/20 0.40
LMNA P02545 3/20 0.40
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL26155994 0.94 CYP1A2 (0.56) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL19750015 0.94 CYP1A2 (0.56) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL12433592 0.94 CYP1A2 (0.56) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL18595900 0.92 CYP1A2 (0.54) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL16807619 0.92 CYP1A2 (0.54) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL22252774 0.91 CYP2A6 (0.45) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL18327947 0.89 CYP2A6 (0.50) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL10109876 0.89 CYP2A6 (0.48) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL18327957 0.89 CYP2A6 (0.50) CYP2A6CYP1A2TDP1ALDH1A1MAOB
SCHEMBL24655189 0.87 AHR (0.49) CYP2A6CYP1A2TDP1ALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220199910-A1 LIGHT-EMITTING DIODE AND AMINE COMPOUND FOR THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2022-06-23 US disclosed
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed
US-20170029408-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-02-02 US disclosed
US-9511056-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2016-12-06 US disclosed
US-8841278-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-23 US disclosed
US-20140249074-A1 ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC (US) 2014-09-04 US disclosed
US-8822430-B2 Antiviral compounds GILEAD PHARMASSET LLC (US) 2014-09-02 US disclosed
US-8669234-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2014-03-11 US disclosed
US-20140039021-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-06 US disclosed
US-8575118-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-11-05 US disclosed
US-20130137877-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-05-30 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100207516-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
US-20100207516-A1 POLYMER COMPOUND AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 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 (5 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-20170029408-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885CYP1A2 3826/4885TDP1 1330/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885CYP1A2 3826/4885TDP1 1330/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885CYP1A2 3826/4885TDP1 1330/4885
US-20220199910-A1 LIGHT-EMITTING DIODE AND AMINE COMPOUND FOR THE SAME CRY1, ALDH1A2, MAOA CYP2A6 2335/4885CYP1A2 428/4885TDP1 827/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP2A6 2659/4885CYP1A2 3826/4885TDP1 1330/4885

“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.