SCHEMBL1609965

SCHEMBL1609965

C[CH]c1cccc(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 6/20 0.42
TSHR P16473 3/20 0.42
CYP2A6 P11509 2/20 0.39
CYP1A2 P05177 1/20 0.39
ACHE P22303 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB1 P08588 1/20 0.36
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
MAPT P10636 2/20 0.33
CD44 P16070 1/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33

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
SCHEMBL3306781 0.81 TRPA1 (0.46) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL4318496 0.81 TRPA1 (0.46) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL6546426 0.81 TRPA1 (0.46) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL10394775 0.80 TRPA1 (0.41) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL9468753 0.80 TRPA1 (0.41) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL20258533 0.80 TRPA1 (0.41) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL221573 0.78
SCHEMBL29444 0.77 TSHR (0.65) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL1509713 0.77 TRPA1 (0.42) TRPA1ATMALDH1A1TSHRCYP2A6
SCHEMBL6062174 0.77 TRPA1 (0.42) TRPA1ATMALDH1A1TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104151249-A Medetomidine industrial splitting method ANHUI YI XIN MING PHARMACEUTICAL CO LTD 2014-11-19 CN claimed
EP-1094784-B1 PERFUME COMPOSITION QUEST INT (NL) 2004-02-11 EP claimed
EP-0414631-A1 Auxiliary agent mixture and its use in dyeing polyester fibre materials CIBA-GEIGY AG (CH) 1991-02-27 EP claimed
CN-110300804-A Pass through the method for micellar catalysis synthetic DNA conjugate 多特蒙德工业大学 2019-10-01 CN disclosed
CN-104151249-A Medetomidine industrial splitting method ANHUI YI XIN MING PHARMACEUTICAL CO LTD 2014-11-19 CN disclosed
US-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed
US-7291730-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050107609-A1 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY 2005-05-19 US disclosed
EP-1180765-B1 Optical recording medium and porphycene compound MITSUI CHEMICALS INC (JP) 2005-04-06 EP disclosed
US-6838463-B2 Pyrimidine compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-01-04 US disclosed
EP-1209147-A1 CARBOXYLIC ACID DERIVATIVES AND ADHESION MOLECULE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2002-05-29 EP disclosed
WO-2002024663-A2 PYRIMIDINE COMPOUNDS AND THEIR USE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-28 WO disclosed
EP-1180765-A1 Optical recording medium and porphycene compound Mitsui Chemicals, Inc. (JP) 2002-02-20 EP disclosed
US-6106999-A SENSITIVITY TO GENERAL-PURPOSE VISIBLE LIGHT LASER, SO THAT HIGH-SPEED SCANNING EXPOSURE IS POSSIBLE BY LASER, AND EXTREMELY FINE HIGH RESOLUTION CAN BE OBTAINED; CAN BE USED FOR COATING OR PRINTING UNDER SAFELIGHT IRRADIATING CONDITIONS MITSUI CHEMICALS (JP) 2000-08-22 US disclosed
EP-0414631-A1 Auxiliary agent mixture and its use in dyeing polyester fibre materials CIBA-GEIGY AG (CH) 1991-02-27 EP disclosed
EP-0031792-B1 POLYESTER COMPOSITIONS HAVING A REDUCED CORROSIVE EFFECT ON METALS, AND THEIR USE CIBA-GEIGY AG (CH) 1985-07-31 EP disclosed
US-4373044-A REDUCING CORROSIVE ACTION ON METALS OR ALLOYS BY INCLUDING AEROSOL OF AN OXIDE CIBA-GEIGY CORPORATION (US) 1983-02-08 US disclosed
EP-0031792-A2 Polyester compositions having a reduced corrosive effect on metals, and their use CIBA-GEIGY AG (CH) 1981-07-08 EP disclosed
EP-0016722-A1 Stabilised flame-resistant plastics moulding composition and process for stabilising plastics made flame-resistant with organic bromine compounds CIBA-GEIGY AG (CH) 1980-10-01 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 (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-20050107609-A1 Pyrimidine compounds and their use TYMP, TYMS, UMPS TRPA1 877/4885ATM 1535/4885ALDH1A1 783/4885
US-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 TRPA1 36/4885ATM 1470/4885ALDH1A1 137/4885

“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.