SCHEMBL16232002

SCHEMBL16232002

Cc1cc(Cl)c(CCc2cc(O)c(=O)[nH]n2)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.38
THRB P10828 2/20 0.38
DAO P14920 5/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 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
SCHEMBL16232036 0.88 THRA (0.36) THRATHRBDAOKMT2AKDM4E
SCHEMBL16231868 0.85 DAO (0.35) DAOKDM4EPKMALDH1A1MAPT
SCHEMBL16234175 0.82 TIPARP (0.34) THRATHRBDAOPOLBKMT2A
SCHEMBL16232037 0.82 DAO (0.36) DAOPOLBKMT2AKDM4EALDH1A1
SCHEMBL16231990 0.81 DAO (0.41) DAO
SCHEMBL16231919 0.80 AR (0.44) THRATHRBDAOPOLBKMT2A
SCHEMBL16231922 0.80 SLC5A2 (0.36) DAOPOLBKMT2AKDM4EALDH1A1
SCHEMBL16231917 0.78 AR (0.43) DAOMAPT
SCHEMBL16232004 0.77 KDM4E (0.31) DAOKDM4EPKM
SCHEMBL16228499 0.77 DAO (0.57) DAOMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-04-20 US disclosed
US-9562020-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-07 US disclosed
US-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-02-11 US disclosed
US-9212147-B2 Dihydroxy aromatic heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 US disclosed
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-11-13 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 (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-20160039771-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC THRA 3191/4885THRB 3534/4885DAO 1/4885
US-20140336165-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC THRA 3157/4885THRB 3503/4885DAO 1/4885
US-20170107226-A1 DIHYDROXY AROMATIC HETEROCYCLIC COMPOUND DAO, DDO, DDC THRA 3157/4885THRB 3503/4885DAO 1/4885

“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.