SCHEMBL1995445

SCHEMBL1995445

COC(=O)[C@@H](C)n1ccc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.52
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
LTA4H P09960 3/20 0.46
ROCK1 Q13464 1/20 0.45
ALOX5 P09917 1/20 0.45

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
SCHEMBL1995447 1.00 SRD5A2 (0.52) SRD5A2HDAC1HDAC6MEN1NPC1
SCHEMBL3688245 0.90 LMNA (0.54) SRD5A2HDAC1HDAC6MEN1NPC1
SCHEMBL2002036 0.90 SRD5A2 (0.55) SRD5A2HDAC1HDAC6MEN1NPC1
SCHEMBL2002039 0.90 SRD5A2 (0.55) SRD5A2HDAC1HDAC6MEN1NPC1
SCHEMBL21244774 0.83 NPC1 (0.56) SRD5A2HDAC1HDAC6MEN1NPC1
SCHEMBL18500627 0.82 MAPK14 (0.52) KMT2ALTA4H
SCHEMBL27620024 0.81 SRD5A2 (0.48) SRD5A2HDAC1HDAC6MEN1NPC1
SCHEMBL1995408 0.81 ITGB3 (0.41) HDAC1HDAC6KMT2A
SCHEMBL2007146 0.80 MEN1 (0.46) SRD5A2MEN1NPC1RAB9AKMT2A
SCHEMBL14977575 0.78 NPC1 (0.50) SRD5A2HDAC1HDAC6MEN1NPC1

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
US-7964622-B2 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC (US) 2011-06-21 US disclosed
US-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents MA XIN 2009-12-03 US disclosed
US-7592361-B2 (5-{3-[4-(4,5,6,7-tetrahydro-benzooxazol-2-yl)-phenoxy]-propoxy}-indol-1-yl)-acetic acid; diabetes, obesity, hyperlipidemia, and atherosclerotic disease BAYER PHARMACEUTICALS CORPORATION (US) 2009-09-22 US disclosed
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents BAYER HEALTHCARE LLC 2006-11-23 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 (2 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-20090298854-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT SRD5A2 595/4885HDAC1 548/4885HDAC6 555/4885
US-20060264486-A1 Indole acetic acid derivatives and their use as pharmaceutical agents IDO1, IDO2, AADAT SRD5A2 595/4885HDAC1 548/4885HDAC6 555/4885

“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.