SCHEMBL5474358

SCHEMBL5474358

CC(C)(C)OCC(O)CCl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.54
AR P10275 1/20 0.40
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRN P28799 1/20 0.30
SORT1 Q99523 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
SCHEMBL14901115 1.00 MAPK1 (0.54) MAPK1ARCA1CA2CA9
SCHEMBL14901116 1.00 MAPK1 (0.54) MAPK1ARCA1CA2CA9
SCHEMBL1982314 0.84 MAPK1 (0.65) MAPK1ALDH1A1TSHRKDM4ETDP1
SCHEMBL7803008 0.81 MAPK1 (0.50) MAPK1ALDH1A1KDM4ETDP1
SCHEMBL9309371 0.79 MAPK1 (0.59) MAPK1ALDH1A1KDM4ETDP1
SCHEMBL18974154 0.78 MAPK1 (0.52) MAPK1ALDH1A1KDM4ETDP1
SCHEMBL8083397 0.77 MAPK1 (0.56) MAPK1ARALDH1A1TSHRKDM4E
SCHEMBL12083370 0.77 MAPK1 (0.56) MAPK1ARALDH1A1TSHRKDM4E
SCHEMBL14901102 0.77 MAPK1 (0.56) MAPK1ALDH1A1TSHRKDM4ETDP1
SCHEMBL2609782 0.77 MAPK1 (0.56) MAPK1ALDH1A1TSHRKDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521707-B1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2017-06-14 EP disclosed
US-9388112-B2 Bisphenol derivatives and their use as androgen receptor activity modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2016-07-12 US disclosed
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 US disclosed
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 US disclosed
US-20070015943-A1 Method of preparation of optically active alcohols POSTECH FOUNDATION (KR) 2007-01-18 US disclosed
WO-2005009935-A1 METHOD OF PREPARATION OF OPTICALLY ACTIVE ALCOHOLS POSTECH FOUNDATION (KR) 2005-02-03 WO disclosed
EP-0060904-A1 A process for making vicinal epoxides and alkyl halides or alkylene dihalides from carbonate esters THE DOW CHEMICAL COMPANY (US) 1982-09-29 EP disclosed
US-4349482-A Process for making vicinal epoxides and dihalides THE DOW CHEMICAL CO. (US) 1982-09-14 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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 MAPK1 3831/4885AR 4/4885CA1 4100/4885
US-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS CYP19A1, AR, SHBG MAPK1 859/4885AR 2/4885CA1 4720/4885

“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.