SCHEMBL817149

SCHEMBL817149

CC[C](CC)c1ccccc1CC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 2/20 0.46
CLCN2 P51788 2/20 0.42
TSHR P16473 1/20 0.40
F2R P25116 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
TP53 P04637 1/20 0.38
MGLL Q99685 1/20 0.38
CYP2D6 P10635 1/20 0.37
FOLH1 Q04609 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL817158 0.87 F2R (0.45) GABRA1GABRB2CLCN2TSHRF2R
SCHEMBL815976 0.84 KDM4E (0.41) GABRA1GABRB2TSHRF2RALDH1A1
SCHEMBL10457385 0.82 CYP3A4 (0.37) GABRA1GABRB2CLCN2TSHRF2R
SCHEMBL816997 0.82 TSHR (0.42) TSHRF2RALDH1A1HTTTP53
SCHEMBL817448 0.81 TSHR (0.44) TSHRALDH1A1HTTTP53MAPT
SCHEMBL814696 0.80 GABRA1 (0.46) GABRA1GABRB2CLCN2TSHRF2R
SCHEMBL2491928 0.80 GABRA1 (0.50) GABRA1GABRB2CLCN2TSHRF2R
SCHEMBL943719 0.79 L3MBTL1 (0.45) GABRA1GABRB2CLCN2TSHRF2R
SCHEMBL815457 0.79 GABRA1 (0.44) GABRA1GABRB2CLCN2TSHRF2R
SCHEMBL30402144 0.79 L3MBTL1 (0.45) GABRA1GABRB2CLCN2TSHRF2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110498767-A The synthetic method of the chloro- 2- cyanopyridine of 3,5- bis- CHONGQING MEDICAL & PHARMACEUTICAL COLLEGE 2019-11-26 CN claimed
CN-107310001-B A kind of bamboo slab rubber and preparation method thereof 深圳市美术装饰工程有限公司 2019-05-24 CN claimed
CN-109503431-A A kind of synthetic method of N, N- dicyclohexylurea (DCU) 山东广浦生物科技有限公司 2019-03-22 CN claimed
CN-108976378-A A kind of flame retardant type compound resin 安徽昊森新材料科技有限公司 2018-12-11 CN claimed
CN-108727330-A The novel synthesis of sesamol 苏州盖德精细材料有限公司 2018-11-02 CN claimed
CN-108593613-A A kind of detection method of glyphosate 重庆大学 2018-09-28 CN claimed
CN-107987716-A A kind of phenyl compound and UV type cathode electrophoresis dope and its preparation and application 华南理工大学 2018-05-04 CN claimed
CN-107974191-A A kind of naphthyl modified compound and UV types cathode electrophoresis dope and its preparation and application 华南理工大学 2018-05-01 CN claimed
CN-105801883-B A kind of method for preparing cellulose solution 西南交通大学 2018-05-01 CN claimed
CN-107916015-A A kind of synthetic method of solvent green 5 连云港锐华化工有限公司 2018-04-17 CN claimed
CN-1962645-A N-p-Fluorobenzyl-N-phenoxylacetylpiperazidine derivative preparation method LAIYANG AGRICULTURAL COLLEGE (CN) 2007-05-16 CN 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
CN-1477094-A Method for synthesizing m-aminophenetole by using m-dinitrobenzene through alkoxylation and reduction two-step method 束殿国 2004-02-25 CN claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
CN-1075901-A Composite phase transfer catalyst and preparation thereof and application HUADONG COLLEGE OF CHEMICAL EN (CN) 1993-09-08 CN claimed
US-4299989-A Preparation of ketones UOP INC. (US) 1981-11-10 US claimed

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-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 GABRA1 3688/4885GABRB2 3686/4885CLCN2 2429/4885

“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.