SCHEMBL14901533

SCHEMBL14901533

ClCCCOc1ccc(Sc2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
RAB9A P51151 1/20 0.38
NOD2 Q9HC29 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALDH3A1 P30838 1/20 0.38
STS P08842 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
PRSS1 P07477 1/20 0.36
TMPRSS2 O15393 1/20 0.36

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
SCHEMBL12517383 0.90 NR1H2 (0.52) LMNADRD2DRD4LTA4HDRD3
SCHEMBL14901530 0.90 ALDH1A1 (0.48) SMN1; SMN2LMNANPSR1NPC1MITF
SCHEMBL14901553 0.86 CA12 (0.42) ALDH3A1
SCHEMBL11093336 0.85 KCNA3 (0.52) KCNA3SMN1; SMN2CYP2D6GAADRD2
SCHEMBL12517330 0.84 APP (0.49) SMN1; SMN2LMNACYP3A4GAAL3MBTL1
SCHEMBL9732981 0.83 PRSS1 (0.38) KCNA3CYP2D6ALDH3A1PRSS1TMPRSS2
SCHEMBL10461425 0.83 MAOB (0.44) KCNA3LMNANPSR1CYP3A4HPGD
SCHEMBL11091364 0.83 DRD2 (0.47) KCNA3SMN1; SMN2LMNANPC1RAB9A
SCHEMBL16195344 0.82 CYP3A4 (0.57) RAB9ACYP3A4CYP2D6GAALTA4H
SCHEMBL14901538 0.82 L3MBTL1 (0.44) SMN1; SMN2LMNANPSR1NPC1MITF

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-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

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 KCNA3 4797/4885SMN1; SMN2 3888/4885LMNA 1050/4885

“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.