SCHEMBL1658627

SCHEMBL1658627

COc1cc(Br)c(C(=O)c2ccc(C)cc2)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
SMPD1 P17405 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
ATM Q13315 1/20 0.53
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
RXRA P19793 1/20 0.48
PTGES O14684 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL12792188 0.87 ATM (0.54) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL12082067 0.84 NPC1 (0.53) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL2158619 0.84 LCK (0.67) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL1658637 0.83 ATM (0.50) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL31564771 0.83 SMPD1 (0.54) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL14781437 0.82 SMPD1 (0.50) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL24057095 0.82 SMPD1 (0.56) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL30577381 0.82 SMPD1 (0.56) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL7372360 0.82 NPC1 (0.68) HPGDSMN1; SMN2SMPD1HDAC1HDAC8
SCHEMBL18690310 0.82 SMPD1 (0.56) HPGDSMN1; SMN2SMPD1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305633-B1 Catechol derivative and its use KISSEI PHARMACEUTICAL (JP) 2013-03-20 EP disclosed
US-8258162-B2 Catechol derivative, pharmaceutical composition containing the same, use of the catechol derivative, and use of the pharmaceutical composition KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
EP-2305633-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE AND USE OF THE PHARMACEUTICAL COMPOSITION Kissei Pharmaceutical Co., Ltd. (JP) 2011-04-06 EP 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-20110172208-A1 NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, USE OF THE CATECHOL DERIVATIVE, AND USE OF THE PHARMACEUTICAL COMPOSITION COMT, CYP3A5, CYP2D6 HPGD 728/4885SMN1; SMN2 4574/4885SMPD1 2205/4885

“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.