SCHEMBL14901593

SCHEMBL14901593

OC(CBr)COc1ccc(Oc2ccc(OCC(O)CBr)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ALDH1A1 P00352 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
ATM Q13315 1/20 0.44
HTT P42858 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
GLA P06280 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP1A2 P05177 1/20 0.41

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
SCHEMBL1496636 0.93 LMNA (0.52) MAPTPOLBLMNAKDM4ESMN1; SMN2
SCHEMBL14901597 0.88 ALDH1A1 (0.49) MAPTPOLBLMNANPSR1ALDH1A1
SCHEMBL1496796 0.86 MAPK1 (0.59) MAPTPOLBLMNANPSR1ALDH1A1
SCHEMBL1496744 0.84 CYP1A2 (0.58) MAPTALDH1A1MAPK1TSHRCYP1A2
SCHEMBL11446832 0.84 TSHR (0.50) MAPTPOLBLMNANPSR1ALDH1A1
SCHEMBL1496571 0.84 USP2 (0.60) MAPTPOLBLMNANPSR1ALDH1A1
SCHEMBL1496552 0.84 KMT2A (0.56) MAPTPOLBLMNANPSR1ALDH1A1
SCHEMBL7798455 0.83 LMNA (0.59) MAPTPOLBLMNAKDM4ESMN1; SMN2
SCHEMBL940062 0.83 LMNA (0.59) MAPTPOLBLMNAKDM4ESMN1; SMN2
SCHEMBL14901594 0.82 MAPT (0.43) MAPTPOLBLMNANPSR1ALDH1A1

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 MAPT 1962/4885POLB 388/4885LMNA 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.