SCHEMBL16163113

SCHEMBL16163113

CC=C(C)C(=O)c1cc(OC)ccc1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
POLB P06746 2/20 0.49
TUBB1 Q9H4B7 1/20 0.46
CYP3A4 P08684 2/20 0.45
MAPK1 P28482 2/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL16163112 1.00 HPGD (0.52) HPGDPOLBTUBB1CYP3A4MAPK1
SCHEMBL1652968 0.82 ALDH1A1 (0.59) HPGDPOLBCYP3A4MAPK1ALDH1A1
SCHEMBL16541694 0.81 HPGD (0.46) HPGDPOLBCYP3A4MAPK1ALDH1A1
SCHEMBL23457081 0.80 RAB9A (0.58) HPGDPOLBCYP3A4MAPK1ALDH1A1
SCHEMBL31682610 0.80 RAB9A (0.58) HPGDPOLBCYP3A4MAPK1ALDH1A1
SCHEMBL227238 0.79 SMN1; SMN2 (0.59) HPGDPOLBCYP3A4ALDH1A1KMT2A
SCHEMBL27201535 0.78 HPGD (0.50) HPGDPOLBCYP3A4ALDH1A1KMT2A
SCHEMBL16294730 0.78 HPGD (0.47) HPGDPOLBCYP3A4MAPK1ALDH1A1
SCHEMBL16170239 0.77 F2R (0.43) HPGDPOLBMAPK1ALDH1A1KMT2A
SCHEMBL227584 0.77 HPGD (0.52) HPGDPOLBCYP3A4MAPK1ALDH1A1

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-9145364-B2 Synthesis of psuedo indoxyl derivatives COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-09-29 US disclosed
US-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-10-16 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-20140309434-A1 SYNTHESIS OF PSUEDO INDOXYL DERIVATIVES IPO4, IPO11, IDO2 HPGD 386/4885POLB 2683/4885TUBB1 1750/4885

“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.