SCHEMBL682758

SCHEMBL682758

CC1=C(c2cccc(CO)n2)CCC1=O

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.34
THRB P10828 1/20 0.34
CCR1 P32246 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL678951 0.74 BTK (0.47)
SCHEMBL16588099 0.72 CCR1 (0.48) TGFBR1THRBCCR1ALDH1A1MAPK1
SCHEMBL9145225 0.70 CCR1 (0.46) TGFBR1THRBCCR1ALDH1A1MAPK1
SCHEMBL20436530 0.70 TGFBR1 (0.37) TGFBR1THRBCCR1TRPV3
SCHEMBL9641705 0.70 CCR1 (0.64) TGFBR1CCR1ALDH1A1
SCHEMBL20416933 0.69 CYP1A2 (0.42) ALDH1A1
SCHEMBL12577773 0.68 HTR7 (0.44) TGFBR1THRBCCR1ALDH1A1TRPV3
SCHEMBL486201 0.65 CCR1 (0.55) CCR1
SCHEMBL2070847 0.65 NOS1 (0.40) TGFBR1THRBCCR1ALDH1A1MAPK1
SCHEMBL13184148 0.65 BCHE (0.39) TGFBR1THRBCCR1ALDH1A1

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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 TGFBR1 4617/4885THRB 3116/4885CCR1 816/4885

“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.