SCHEMBL12433581

SCHEMBL12433581

Cc1ccc2c(ccc3c4ccc(C)cc4oc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.44
CYP2A6 P11509 3/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
MAOB P27338 2/20 0.42
TDP1 Q9NUW8 1/20 0.39
CDC25A P30304 1/20 0.39
CDC25C P30307 1/20 0.39
KMT2A Q03164 2/20 0.38
DYRK1A Q13627 1/20 0.38
MAPT P10636 2/20 0.37
NCK1 P16333 1/20 0.36
BACE1 P56817 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 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
SCHEMBL13563983 0.90 MAOB (0.48) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL13562059 0.90 CYP2A6 (0.43) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL13958278 0.88 DYRK1A (0.50) CYP1A2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23060994 0.87 KMT2A (0.45) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL10109866 0.87 KMT2A (0.53) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL18327955 0.87 ALDH1A1 (0.46) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL14985711 0.85 CYP1A2 (0.40) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL15463295 0.85 ALDH1A1 (0.37) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL13562056 0.84 CYP2A6 (0.46) CYP1A2CYP2A6ALDH1A1KDM4EHPGD
SCHEMBL22252774 0.84 CYP2A6 (0.45) CYP1A2CYP2A6ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (4 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 CYP1A2 3826/4885CYP2A6 2659/4885ALDH1A1 3957/4885
US-20130137877-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885CYP2A6 2659/4885ALDH1A1 3957/4885
US-20140039021-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885CYP2A6 2659/4885ALDH1A1 3957/4885
US-20140249074-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 CYP1A2 3826/4885CYP2A6 2659/4885ALDH1A1 3957/4885

“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.