SCHEMBL14901529

SCHEMBL14901529

OCCOc1ccc(-c2ccc(OCCCCl)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
NR1I2 O75469 1/20 0.50
GAA P10253 1/20 0.47
CYP3A4 P08684 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2D6 P10635 2/20 0.46
HRH3 Q9Y5N1 4/20 0.43
LSS P48449 1/20 0.43
RARB P10826 5/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 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
SCHEMBL11096825 0.91 CYP3A4 (0.52) CYP3A4SMN1; SMN2CYP2D6HRH3LSS
SCHEMBL14901554 0.91 L3MBTL1 (0.54) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL14901528 0.89 ALDH1A1 (0.54) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL152501 0.89 ALDH1A1 (0.68) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL2720663 0.89 ALDH1A1 (0.68) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL9119081 0.89 ALDH1A1 (0.68) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL14004241 0.89 ALDH1A1 (0.68) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL12517392 0.85 LTA4H (0.55) CYP3A4CYP2D6HDAC6CYP1A2CYP19A1
SCHEMBL14901530 0.84 ALDH1A1 (0.48) ALDH1A1RECQLNR1I2GAACYP3A4
SCHEMBL2719251 0.84 ALDH1A1 (0.56) ALDH1A1RECQLNR1I2GAACYP3A4

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 ALDH1A1 179/4885RECQL 1492/4885NR1I2 173/4885

“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.