SCHEMBL821213

SCHEMBL821213

[CH2]Cc1c(C)ccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2A6 P11509 3/20 0.54
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
HPRT1 P00492 1/20 0.41
KMT2A Q03164 1/20 0.40
HIF1A Q16665 2/20 0.39
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL1706721 0.84 TSHR (0.50) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL6249203 0.83 TSHR (0.58) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL16042478 0.83 TSHR (0.58) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL7653479 0.82 TSHR (0.48) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL7650726 0.81 TSHR (0.47) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL29489290 0.81 TSHR (0.56) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
Potassium SCHEMBL29978462 0.81 TSHR (0.56) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL607362 0.81 CYP1A2 (0.56) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL29489289 0.81 TSHR (0.56) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10
SCHEMBL7655585 0.80 TSHR (0.46) TSHRCYP1A2CYP2A6ALDH1A1HSD17B10

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289710-B1 Pneumatic tire BRIDGESTONE CORP (JP) 2018-11-07 EP disclosed
EP-1297974-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2017-03-15 EP disclosed
US-9126987-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2015-09-08 US disclosed
US-8183327-B2 Rubber composition for tire and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2012-05-22 US disclosed
EP-2091948-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-04-18 EP disclosed
US-20110306579-A1 METHODS OF NEUROPROTECTION USING NEUROPROTECTIVE STEROIDS AND A VITAMIN D EMORY UNIVERSITY (US) 2011-12-15 US disclosed
US-8058357-B2 Vulcanizable compositions and tire treads prepared therewith BRIDGESTONE CORPORATION (JP) 2011-11-15 US disclosed
US-20110071253-A1 RUBBER COMPOSITION FOR TIRE AND PNEUMATIC TIRE SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2011-03-24 US disclosed
EP-2289710-A2 Pneumatic tire Bridgestone Corporation (JP) 2011-03-02 EP disclosed
EP-2287015-A2 Pneumatic tire Bridgestone Corporation (JP) 2011-02-23 EP disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1197518-A1 RUBBER COMPOSITION AND PNEUMATIC TIRE MADE WITH THE SAME BRIDGESTONE CORPORATION (JP) 2002-04-17 EP disclosed
EP-1172430-A2 Lubricant composition for steel filament and rubber-steel filament composite body Bridgestone Corporation (JP) 2002-01-16 EP disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed
US-5792840-A SUBSTITUTED GLUCOPYRANOSYL PHOSPHATES SANKYO COMPANY, LIMITED (JP) 1998-08-11 US disclosed
EP-0437016-B1 Lipid A analogues having immunoactivating and anti-tumour activity SANKYO CO (JP) 1996-05-01 EP disclosed
EP-0437016-A2 Lipid A analogues having immunoactivating and anti-tumour activity Sankyo Company Limited (JP) 1991-07-17 EP 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 (1 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-20110306579-A1 METHODS OF NEUROPROTECTION USING NEUROPROTECTIVE STEROIDS AND A VITAMIN D CYP27B1, GAP43, VDR TSHR 2579/4885CYP1A2 3362/4885CYP2A6 3114/4885

“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.