SCHEMBL12515795

SCHEMBL12515795

CC(C)(c1ccc(O)cc1)c1ccc(OCCCCl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.55
▸ ESR2 Q92731 3/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ AR P10275 2/20 0.55
▸ HPGD P15428 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A4 P31645 1/20 0.55
▸ HTR6 P50406 1/20 0.55
▸ ESRRG P62508 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ LTA4H P09960 3/20 0.51
▸ NR5A1 Q13285 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 6/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ HTT P42858 2/20 0.48

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
Phosphoric Acid SCHEMBL7598620 0.92 AR (0.47) ESR1ESR2CYP3A4ARHPGD
SCHEMBL12515796 0.91 SMN1; SMN2 (0.56) CYP3A4ARHPGDTSHRSMN1; SMN2
SCHEMBL13567687 0.88 LTA4H (0.68) ESR1ESR2CYP3A4ARHPGD
SCHEMBL7261016 0.86 CYP3A4 (0.55) ESR1ESR2CYP3A4ARHPGD
SCHEMBL12516013 0.86 SMN1; SMN2 (0.58) CYP3A4ARHPGDTSHRSMN1; SMN2
SCHEMBL14962790 0.86 SMN1; SMN2 (0.51) CYP3A4ARHPGDTSHRHSD17B10
SCHEMBL7829618 0.85 LTA4H (0.61) ESR1ESR2SLC6A2ESRRGSLC6A3
SCHEMBL9394712 0.85 NR5A1 (0.74) ESR1ESR2CYP3A4ARHPGD
SCHEMBL904493 0.84 CYP3A4 (0.60) ESR1ESR2CYP3A4ARHPGD
SCHEMBL10328457 0.84 LTA4H (0.68) ESR1ESR2CYP3A4ARHPGD

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 6 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-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-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-23 — — US disclosed
WO-2011082487-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS BRITISH COLUMBIA CANCER AGENCY BRANCH (CA) 2011-07-14 — — WO 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 (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-20130131167-A1 BISPHENOL DERIVATIVES AND THEIR USE AS ANDROGEN RECEPTOR ACTIVITY MODULATORS CYP19A1, AR, SHBG ESR1 13/4885ESR2 15/4885CYP3A4 853/4885

“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.

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