SCHEMBL16170239

SCHEMBL16170239

C/C=C(\C)C(=O)c1cc(C)ccc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.43
CSNK2A1 P68400 1/20 0.40
MAPT P10636 3/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL30844550 0.80 F2R (0.47) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL136961 0.80 F2R (0.47) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL27992485 0.78 MAPT (0.49) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL16163113 0.77 HPGD (0.52) MAPTNPC1MAPK1HTTKMT2A
SCHEMBL16163112 0.77 HPGD (0.52) MAPTNPC1MAPK1HTTKMT2A
SCHEMBL500361 0.76 CSNK2A1 (0.61) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL16950492 0.76 CSNK2A1 (0.39) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL13254950 0.75 MAPT (0.46) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL11731746 0.75 CSNK2A1 (0.44) F2RCSNK2A1MAPTNPC1MAPK1
SCHEMBL3735051 0.75 CSNK2A1 (0.44) F2RCSNK2A1MAPTNPC1MAPK1

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 F2R 1769/4885CSNK2A1 1195/4885MAPT 369/4885

“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.