SCHEMBL817756

SCHEMBL817756

CC[C](C)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
HPGD P15428 4/20 0.44
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
F2R P25116 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
SCHEMBL10687771 0.84 TRPA1 (0.44) TSHRMAPK1SMN1; SMN2HPGDKMT2A
SCHEMBL817135 0.82 SMN1; SMN2 (0.50) TSHRMAPK1SMN1; SMN2HPGDERCC5
SCHEMBL815730 0.79 F2R (0.45) TSHRSMN1; SMN2HPGDKMT2AGAA
SCHEMBL16960979 0.79 KAT6A (0.39) TSHRMAPK1SMN1; SMN2HPGDKMT2A
SCHEMBL16957551 0.79 TAS1R3 (0.38) TSHRMAPK1SMN1; SMN2HPGDKMT2A
SCHEMBL2119445 0.78 ERCC5 (0.44) TSHRMAPK1SMN1; SMN2HPGDERCC5
SCHEMBL5011123 0.78 ERCC5 (0.44) TSHRMAPK1SMN1; SMN2HPGDERCC5
SCHEMBL815607 0.77 F2R (0.44) TSHRMAPK1SMN1; SMN2HPGDKMT2A
SCHEMBL9099802 0.76 SMN1; SMN2 (0.57) TSHRMAPK1SMN1; SMN2HPGDERCC5
SCHEMBL15251107 0.76 ERCC5 (0.43) TSHRMAPK1SMN1; SMN2HPGDERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111840182-A Multifunctional traditional Chinese medicine antibacterial sanitary wet tissue and preparation method thereof 支允前 2020-10-30 CN claimed
CN-108164882-A A kind of Anti-static safety shoes and its manufacturing method 温州鑫彩鸿安防科技有限公司 2018-06-15 CN claimed
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO claimed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
WO-2007135350-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO claimed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
EP-1244617-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE Ortho-McNeil Pharmaceutical, Inc. (US) 2002-10-02 EP claimed
WO-2001047875-A1 SUBSTITUTED AMINOALKYLAMIDE DERIVATIVES AS ANTAGONISTS OF FOLLICLE STIMULATING HORMONE ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-07-05 WO claimed
US-4743395-A Thickened acid cleaner compositions containing quaternary ammonium germicides and having improved thermal stability THE DRACKETT COMPANY (US) 1988-05-10 US claimed
US-11931415-B2 Ophthalmic compositions THE UNIVERSITY OF LIVERPOOL (GB) 2024-03-19 US disclosed
US-20230090517-A1 COMPOSITE QUATERNARY AMMONIUM SALT DISINFECTANT AND METHOD FOR PREPARING THE SAME BEIJING SHUNXING BIOTECH CO., LTD. (CN) 2023-03-23 US disclosed
US-4522738-A Toilet bowl cleaner CELLO CORP. 1985-06-11 US disclosed
US-4263278-A APPLYING ANTIMICROBIAL EMBALMING FLUID CONTAINING QUATERNARY AMMONIUM HALIDES CHEM-SERV, INC., 1701 NORTHWEST MADRID WAY, BOCA RATON, FL. 33432 A CORP. OF FL. 1981-04-21 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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 TSHR 4680/4885MAPK1 2374/4885SMN1; SMN2 3076/4885
US-11931415-B2 Ophthalmic compositions CRYAB, CRYAA, PDE6D TSHR 2148/4885MAPK1 2916/4885SMN1; SMN2 2381/4885
US-20230090517-A1 COMPOSITE QUATERNARY AMMONIUM SALT DISINFECTANT AND METHOD FOR PREPARING THE SAME SARS1, ISG15, TRIM25 TSHR 3332/4885MAPK1 2783/4885SMN1; SMN2 3971/4885

“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.