SCHEMBL3904348

SCHEMBL3904348

OCc1ccc(CCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.78
TDP1 Q9NUW8 2/20 0.62
MAOB P27338 3/20 0.56
MAOA P21397 2/20 0.56
LTA4H P09960 1/20 0.56
FFAR1 O14842 1/20 0.56
CHKA P35790 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
CASP1 P29466 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HDAC1 Q13547 2/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
KEAP1 Q14145 1/20 0.48
HTR2A P28223 2/20 0.48
CYP2A6 P11509 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5395347 0.90 TSHR (0.70) TSHRTDP1MAOBMAOALTA4H
Benzyl Alcohol SCHEMBL27703677 0.88 TSHR (1.00) TSHRTDP1MAOBLTA4HALDH1A1
Benzyl Alcohol SCHEMBL1332097 0.88
Benzyl Alcohol SCHEMBL11680991 0.88 TSHR (1.00) TSHRTDP1MAOBLTA4HALDH1A1
Benzyl Alcohol SCHEMBL9066990 0.88 TSHR (1.00) TSHRTDP1MAOBLTA4HALDH1A1
Benzyl Alcohol SCHEMBL27787318 0.88 TSHR (1.00) TSHRTDP1MAOBLTA4HALDH1A1
Benzyl Alcohol SCHEMBL147 0.88
Benzyl Alcohol SCHEMBL433990 0.88 TSHR (1.00) TSHRTDP1MAOBLTA4HALDH1A1
Benzyl Alcohol SCHEMBL11353823 0.88 TSHR (1.00) TSHRTDP1MAOBLTA4HALDH1A1
SCHEMBL7539245 0.88 CHKA (0.58) TSHRTDP1MAOBMAOALTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 WO disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
US-6953789-B2 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-10-11 US disclosed
US-20040157894-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-08-12 US disclosed
US-6699881-B2 MATRIX METALLOPROTEASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-02 US disclosed
US-20030078253-A1 Thiol compounds, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2003-04-24 US disclosed
EP-0708085-B1 Antiviral ethers of aspartate protease substrate isosteres NOVARTIS AG (CH) 2002-07-17 EP disclosed
US-6420415-B1 Thiol compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-16 US disclosed
EP-1132379-A1 NOVEL THIOL DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND UTILIZATION THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-09-12 EP disclosed
US-5935976-A Antiviral ethers of aspartate protease substrate isosteres NOVARTIS CORPORATION (US) 1999-08-10 US disclosed
US-5807891-A RETROVIRUSES NOVARTIS AG (CH) 1998-09-15 US disclosed
US-5663200-A CARBAMOYL PEPTIDE DERIVATIVES AS VIRICIDES CIBA-GEIGY CORPORATION (US) 1997-09-02 US disclosed
WO-1996016980-A1 MORPHOLINOETHYLAMIDE DERIVATIVES NOVARTIS AG (CH) 1996-06-06 WO disclosed
EP-0708085-A2 Antiviral ethers of aspartate protease substrate isosteres CIBA-GEIGY AG (CH) 1996-04-24 EP disclosed
US-4891297-A STORAGE STABILITY, HIGH COLOR DENSITY FUJI PHOTO FILM CO.,LTD. (JP) 1990-01-02 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 (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-20030078253-A1 Thiol compounds, their production and use TST, QSOX1, SULT1E1 TSHR 1971/4885TDP1 3844/4885MAOB 1846/4885
US-20040157894-A1 Thiol compounds, their production and use TST, SULT1E1, QSOX1 TSHR 1888/4885TDP1 3868/4885MAOB 1776/4885
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 TSHR 504/4885TDP1 4282/4885MAOB 3621/4885

“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.