SCHEMBL16163247

SCHEMBL16163247

COc1ccc(Br)c(C(=O)C(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.57
POLB P06746 2/20 0.47
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 3/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2C19 P33261 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL3484699 0.88 NPC1 (0.49) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL29035080 0.86 HPGD (0.54) HPGDPOLBKMT2ACYP1A2CYP3A4
SCHEMBL16163251 0.84 HPGD (0.56) HPGDPOLBKMT2ACYP1A2CYP3A4
SCHEMBL16163257 0.84 HPGD (0.52) HPGDPOLBKMT2ACYP1A2CYP3A4
SCHEMBL23457081 0.82 RAB9A (0.58) HPGDPOLBKMT2ACYP1A2CYP3A4
SCHEMBL31682610 0.82 RAB9A (0.58) HPGDPOLBKMT2ACYP1A2CYP3A4
SCHEMBL4121932 0.81 NPC1 (0.53) HPGDKMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL13761323 0.81 MAPT (0.62) HPGDPOLBKMT2AMAPTHTT
SCHEMBL16162923 0.81 HPGD (0.52) HPGDPOLBKMT2ACYP1A2CYP3A4
SCHEMBL227238 0.80 SMN1; SMN2 (0.59) HPGDPOLBKMT2ACYP1A2CYP3A4

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 2683/4885KMT2A 1696/4885

“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.