SCHEMBL2090470

SCHEMBL2090470

COc1ccc(Oc2[c]cccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.54
CA4 P22748 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 4/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL2095414 0.86 ALDH1A1 (0.42) LTA4HCA4ALDH1A1HTTKMT2A
SCHEMBL1532097 0.84 TEAD4 (0.42) LTA4HALDH1A1HTTMEN1KMT2A
SCHEMBL8535180 0.83 LTA4H (0.52) LTA4HCA1CA2CA9MEN1
SCHEMBL5537810 0.83 SMN1; SMN2 (0.47) LTA4HCA4CA1CA2CA7
SCHEMBL76698 0.83 LTA4H (0.50) LTA4HCA4CA1CA2CA9
SCHEMBL28770243 0.81 LTA4H (0.48) LTA4HCA4CA1CA2CA9
SCHEMBL5534936 0.80 CA12 (0.50) CA4CA12CA1CA2CA7
SCHEMBL1532077 0.80 MAPT (0.42) LTA4HCA1CA2CA9CA14
SCHEMBL1220986 0.80 LTA4H (0.54) LTA4HMEN1KMT2ACYP1A2CYP2C19
SCHEMBL1532042 0.80 ALDH1A1 (0.39) LTA4HALDH1A1HTTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105980387-B Serine/threonine kinase inhibitor 阵列生物制药公司 2019-04-19 CN claimed
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
EP-1976509-B1 PPAR MODULATORS EVOLVA SA (CH) 2014-12-17 EP claimed
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 US claimed
EP-2363127-A1 PPAR Modulators Evolva SA (CH) 2011-09-07 EP claimed
US-20110178112-A1 PPAR Modulators EVOLVA SA (CH) 2011-07-21 US claimed
EP-1976509-A2 PPAR MODULATORS Evolva SA (CH) 2008-10-08 EP claimed
WO-2007138485-A2 PPAR MODULATORS EVOLVA SA (US) 2007-12-06 WO claimed
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) JEPPESEN LONE (DK) 2005-06-02 US claimed
CN-116159578-A Iron catalyst for catalyzing oxidative cleavage of lignin model to produce phenol and ester and application thereof 天津理工大学 2023-05-26 CN disclosed
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-02 US disclosed
EP-3863642-A1 COVALENT TARGETING OF E3 LIGASES The Regents of the University of California (US) 2021-08-18 EP disclosed
US-4578107-A Herbicidal imidazolidine-2-one derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1986-03-25 US disclosed
US-4414210-A 2-Hydroxyarylethyltriazole fungicides ROHM AND HAAS COMPANY (US) 1983-11-08 US disclosed
US-4413003-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1983-11-01 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 (5 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-20110178112-A1 PPAR Modulators PPARD, PPARG, PPARA LTA4H 2031/4885CA4 4772/4885CA12 4866/4885
US-20140288110-A1 PPAR MODULATORS PPARD, PPARG, PPARA LTA4H 2031/4885CA4 4772/4885CA12 4866/4885
US-20160304519-A1 SERINE/THREONINE KINASE INHIBITORS TTBK1, MAP3K1, TNNI3K LTA4H 3319/4885CA4 2725/4885CA12 1981/4885
US-20210369731-A1 COVALENT TARGETING OF E3 LIGASES RNF114, RNF4, RNF168 LTA4H 2510/4885CA4 3645/4885CA12 4279/4885
US-20050119332-A1 Substituted thiophene compounds as modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPN1 LTA4H 916/4885CA4 4129/4885CA12 3905/4885

“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.