SCHEMBL14969345

SCHEMBL14969345

c1cc(C2(c3ccc(OC[C@H]4CO4)cc3)CCCCC2)ccc1OCC1CO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ TP53 P04637 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ PKM P14618 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ PSMB1 P20618 1/20 0.50
▸ PSMB5 P28074 1/20 0.50
▸ PSMB2 P49721 1/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ESR1 P03372 3/20 0.42

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
SCHEMBL5598711 1.00 TDP1 (0.54) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL24394464 1.00 TDP1 (0.54) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL18230814 0.93 PKM (0.57) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL18974079 0.89 ALDH1A1 (0.46) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL16377120 0.89 TDP1 (0.44) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL13385083 0.89 ALDH1A1 (0.46) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL13385077 0.87 ALDH1A1 (0.47) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL15934082 0.86 TDP1 (0.53) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL21514937 0.85 TDP1 (0.40) TDP1ALDH1A1TP53TSHRMAPT
SCHEMBL18230811 0.85 HPGD (0.42) TDP1ALDH1A1TP53TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 TDP1 4075/4885ALDH1A1 666/4885TP53 155/4885

“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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