SCHEMBL23004

SCHEMBL23004

Cc1[c]cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.34
POLB P06746 1/20 0.30
TYR P14679 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL330164 0.79 HSD11B1 (0.37) ALDH1A1TSHRTDP1KIF11POLB
SCHEMBL14910504 0.79
SCHEMBL125906 0.76 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL3210228 0.76
SCHEMBL4057050 0.74 CA2 (0.50) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL22639 0.74 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL24092 0.74 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL10927467 0.74 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6858865 0.74 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL1371595 0.74 CA2 (0.40) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP claimed
EP-2484685-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND Sumitomo Chemical Co., Ltd (JP) 2012-08-08 EP claimed
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-19 US claimed
CN-112292414-A Cation-curable composition and method for producing cured product 迪睿合株式会社 2021-01-29 CN disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-13 US disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 EP disclosed
US-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-10 US disclosed
EP-3202822-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIGOMERIZATION REACTION Sumitomo Chemical Company Limited (JP) 2017-08-09 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-1164224-A Monomers and composition with can be crosslinked and crosslinked polymers CIBA GEIGY AG (CH) 1997-11-05 CN disclosed
EP-0782164-A1 Plasma display filter MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-07-02 EP disclosed
EP-0746559-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS The Regents of The University of Michigan (US) 1996-12-11 EP disclosed
US-5543413-A VIRAL ACTIVITY AGAINST HUMAN CYTOMEGALOVIRUS AND HERPES SIMPLEX VIRUS REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1996-08-06 US disclosed
WO-1995023151-A1 PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES AS ANTIVIRALS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 1995-08-31 WO 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 (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-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION OGFR, GFER, ITGB7 CA2 4544/4885GABRA1 62/4885GABRB2 211/4885
US-20120184431-A1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND EMC1, CYC1, AP1M1 CA2 2124/4885GABRA1 3228/4885GABRB2 4236/4885
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction GFER, OGFR, TECR CA2 4602/4885GABRA1 56/4885GABRB2 178/4885

“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.