SCHEMBL3086641

SCHEMBL3086641

CC(C)[CH]c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 1/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
AHR P35869 1/20 0.41
MAOB P27338 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.38
TRPA1 O75762 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
GSK3B P49841 1/20 0.36
TYR P14679 1/20 0.36
FBP1 P09467 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL6320606 0.86 TYR (0.38) CYP2A6ALDH1A1TYR
SCHEMBL19616115 0.80 HSD17B10 (0.42) HSD17B10ADRB2LMNACYP2A6AHR
SCHEMBL19616794 0.80 HSD17B10 (0.42) HSD17B10ADRB2LMNACYP2A6AHR
SCHEMBL27666928 0.79 TYR (0.58) LMNAPTGS1PTGS2ALDH1A1TYR
SCHEMBL9824054 0.76 CYP2A6 (0.48) CYP2A6ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9967711 0.75 AHR (0.48) HSD17B10AHRMAOBCYP1A2ALOX5
SCHEMBL14465008 0.75 AHR (0.48) HSD17B10AHRMAOBCYP1A2ALOX5
SCHEMBL10131184 0.75 AHR (0.48) HSD17B10AHRMAOBCYP1A2ALOX5
SCHEMBL5391671 0.74 ESR1 (0.46) HSD17B10LMNAMAOBSLC6A2CYP1A2
SCHEMBL8217528 0.74 NFE2L2 (0.46) LMNATRPA1ALOX5PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3089980-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2018-01-31 EP claimed
US-9670208-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2017-06-06 US claimed
EP-3089980-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2016-11-09 EP claimed
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2016-10-20 US claimed
CN-105980387-A Serine/threonine kinase inhibitors 阵列生物制药公司 2016-09-28 CN claimed
WO-2015103137-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2015-07-09 WO claimed
US-5157048-A Process for the preparation of ketones and novel insecticides produced therefrom THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1992-10-20 US claimed
CN-85103731-A FLUOROPYRIDINYLMETHYL CYCLOPROPANECARBOXYLATE INSECTICIDES AND INTERMEDIATES 1987-01-07 CN claimed
EP-0176594-A1 FLUOROPYRIDINYLMETHYL CYCLOPROPANECARBOXYLATE INSECTICIDES AND INTERMEDIATES FMC Corporation (US) 1986-04-09 EP claimed
EP-0049977-B1 INSECTICIDAL (1,1'-BIPHENYL)-3-YLMETHYL ESTERS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM FMC Corporation (US) 1986-02-26 EP claimed
US-4254051-A ALPHA-CYANO ESTERS BY REACTING AN ACYL HALIDE WITH 3-PHENOXYBENZALDEHYDE AND A CYANIDE SALT FMC CORPORATION (US) 1981-03-03 US claimed
EP-0008474-A2 Pesticidal compositions containing a carbamic acid-N,N'-sulphide, combined with a synthetic pyrethroid insecticide and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1980-03-05 EP claimed
EP-0005563-A1 Pesticidal compositions and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-11-28 EP claimed
US-4151293-A MITICIDES ABBOTT LABORATORIES (US) 1979-04-24 US claimed
EP-0000962-A1 Pesticidal composition and method of combating pests SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1979-03-07 EP claimed
US-4123451-A REACTING AROMATIC ALDEHYDE AND ACYL HALIDE WITH WATER AND A SOLUBLE CYANIDE IN THE PRESENCE OF A WATER-IMMISCIBLE SOLVENT SHELL OIL COMPANY (US) 1978-10-31 US claimed
US-4110362-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, ONIUM CATALYST SHELL OIL COMPANY (US) 1978-08-29 US claimed
US-4110361-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, POLYETHER CATALYST SHELL OIL COMPANY (US) 1978-08-29 US claimed
US-4110360-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE SHELL OIL COMPANY (US) 1978-08-29 US claimed
US-4110363-A FROM AN ALDEHYDE, ACID HALIDE AND CYANIDE, MACROCYCLIC POLYETHER CATALYST SHELL OIL COMPANY (US) 1978-08-29 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-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K HSD17B10 2032/4885ADRB2 3485/4885LMNA 1573/4885

“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.