SCHEMBL5790732

SCHEMBL5790732

CC(C)c1cc(C(C)C)c(Cl)c(C(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.50
GABRB2 P47870 2/20 0.50
FABP4 P15090 4/20 0.48
FABP3 P05413 2/20 0.48
FABP5 Q01469 1/20 0.46
GABRB1 P18505 3/20 0.42
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.33
ADRB2 P07550 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
GLA P06280 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL19622450 0.85 CA1 (0.44) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9618707 0.85 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL22525916 0.80 GABRA1 (0.64) GABRA1GABRB2GABRB1LMNAALDH1A1
SCHEMBL17935190 0.80 CA1 (0.55) GABRA1GABRB2FABP4FABP3GABRB1
SCHEMBL26203737 0.78 GABRA1 (0.42) GABRA1GABRB2GABRB1LMNACA1
SCHEMBL26203728 0.76 GABRA1 (0.41) GABRA1GABRB2GABRB1LMNACA1
SCHEMBL4714238 0.76 GABRA1 (0.52) GABRA1GABRB2GABRB1LMNACA1
SCHEMBL26218810 0.75 GABRA1 (0.39) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20285914 0.75 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL9064395 0.74 GABRA1 (0.52) GABRA1GABRB2FABP4FABP3FABP5

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105273006-B The preparation method of the tri isopropyl biphenyl of 2 dicyclohexylphosphontetrafluoroborate 2,4,6 盘锦格林凯默科技有限公司 2017-09-19 CN claimed
CN-105273006-A Method for preparing 2-dicyclohexylphosphine-2,4,6-di-iso-propylbiphenyl PANJIN GELIN KAIMO TECHNOLOGY CO LTD 2016-01-27 CN claimed
CN-104327106-A Preparation method of high-sterically-hindered arylborate compound SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-02-04 CN claimed
CN-116478350-A Poly (isomonoolefin) copolymer and application thereof 北京石油化工学院 2023-07-25 CN disclosed
CN-116425930-A Poly (isomonoolefin) copolymer, initiator system and application 北京石油化工学院 2023-07-14 CN disclosed
CN-113912795-B Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-11-22 CN disclosed
US-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF NodThera Limited (GB) 2022-08-25 US disclosed
CN-113912795-A Polyisomonoolefin copolymer, preparation method thereof, initiator and application 北京石油化工学院 2022-01-11 CN disclosed
CN-111349114-A Method for synthesizing 2-dicyclohexylphosphine-2 ', 4 ', 6 ' -triisopropylbiphenyl 河南省科学院化学研究所有限公司 2020-06-30 CN disclosed
CN-104327106-B The preparation method of high steric-hindrance amino aryl boric acid esters compound 香港理工大学深圳研究院 2017-11-10 CN disclosed
CN-105273006-B The preparation method of the tri isopropyl biphenyl of 2 dicyclohexylphosphontetrafluoroborate 2,4,6 盘锦格林凯默科技有限公司 2017-09-19 CN disclosed
CN-105273006-A Method for preparing 2-dicyclohexylphosphine-2,4,6-di-iso-propylbiphenyl PANJIN GELIN KAIMO TECHNOLOGY CO LTD 2016-01-27 CN disclosed
EP-1804848-B1 IMPLANTABLE DEVICES COMPRISING BIOLOGICALLY ABSORBABLE STAR POLYMERS AND METHODS FOR FABRICATING THE SAME ABBOTT CARDIOVASCULAR SYSTEMS (US) 2015-07-15 EP disclosed
CN-104327106-A Preparation method of high-sterically-hindered arylborate compound SHENZHEN RES INST THE HONG KONG POLYTECHNIC UNIVERSITY 2015-02-04 CN disclosed
US-20060095122-A1 Implantable devices comprising biologically absorbable star polymers and methods for fabricating the same ADVANCED CARDIOVASCULAR SYSTEMS, INC. 2006-05-04 US disclosed
WO-2006011000-A1 NOVEL C6-SUBSTITUTED FURANOID SUGAR AMINO ACIDS AND IMPROVED PROCESS FOR PREPARING THE SAME COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2006-02-02 WO disclosed
US-20060014939-A1 Novel C6-substituted furanoid sugar amino acids and improved process for preparing the same COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2006-01-19 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 (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-20220267300-A1 SULFONAMIDE DERIVATIVES AND USES THEREOF IL1B, IL1A, CASP1 GABRA1 2195/4885GABRB2 2922/4885FABP4 3668/4885
US-20060014939-A1 Novel C6-substituted furanoid sugar amino acids and improved process for preparing the same HRH3, FFAR3, SSTR3 GABRA1 2975/4885GABRB2 3162/4885FABP4 1546/4885

“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.