SCHEMBL12517331

SCHEMBL12517331

OCCOCCOCCOc1ccc(Oc2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.47
LTA4H P09960 5/20 0.44
RECQL P46063 1/20 0.42
NR1I2 O75469 1/20 0.40
RARB P10826 1/20 0.39

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
SCHEMBL8743238 0.91 APP (0.61) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL6306104 0.91 APP (0.61) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL9493287 0.91 APP (0.61) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL14901554 0.89 L3MBTL1 (0.54) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL14901528 0.89 ALDH1A1 (0.54) ALDH1A1CYP3A4SMN1; SMN2LTA4HRECQL
SCHEMBL12517330 0.85 APP (0.49) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL24303208 0.84 APP (0.67) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL3085759 0.84 APP (0.67) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL14901579 0.84 LTA4H (0.59) APPALDH1A1MEN1KMT2AUSP2
SCHEMBL10437660 0.84 ALDH1A1 (0.64) APPALDH1A1MEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 US disclosed
US-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2013-05-02 US disclosed
WO-2011082488-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE 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-20130109758-A1 BISPHENOL DERIVATIVE THERAPEUTICS AND METHODS FOR THEIR USE SHBG, KLK3, HSD17B11 APP 4784/4885ALDH1A1 179/4885MEN1 2351/4885

“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.