SCHEMBL17876391

SCHEMBL17876391

CC(=O)C#Cc1coc2cc(C)ccc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALOX15 P16050 1/20 0.46
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGD P15428 3/20 0.38
HTT P42858 1/20 0.38
MAOB P27338 2/20 0.38
USP2 O75604 2/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 2/20 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
SCHEMBL17876366 0.83 ALOX15 (0.43) MAPTSMN1; SMN2ALOX15KMT2AALDH1A1
SCHEMBL17876365 0.80 MAPT (0.42) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL17868290 0.78 MAPT (0.47) MAPTSMN1; SMN2KMT2AMEN1TSHR
SCHEMBL17876367 0.72 ALDH1A1 (0.43) ALOX15KMT2ATSHRALDH1A1HPGD
SCHEMBL7600910 0.72 MAPT (0.50) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL11508309 0.72 MAOB (0.61) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL17876375 0.69 MAPT (0.47) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL16210679 0.69 KMT2A (0.58) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL16357244 0.68 ALDH1A1 (0.68) MAPTSMN1; SMN2ALOX15KMT2AMEN1
SCHEMBL17876377 0.68 KMT2A (0.39) KMT2AMEN1ALDH1A1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 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-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF VAT1, NQO1, VARS1 MAPT 1736/4885SMN1; SMN2 3336/4885ALOX15 503/4885

“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.