SCHEMBL18909502

SCHEMBL18909502

Cc1cc(C2CC2)cc(C=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 14/20 0.47
ESR2 Q92731 1/20 0.43
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL10834735 0.80 CA1 (0.48) ESR2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL1715789 0.80 CA1 (0.48) ESR2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL5883365 0.79 ESR2 (0.41) ERN1ESR2LMNA
SCHEMBL16055346 0.79 ERN1 (0.56) ERN1ESR2
SCHEMBL18717054 0.76 ESR2 (0.41) ERN1ESR2ALDH1A1LMNA
SCHEMBL23752821 0.74 ESR2 (0.45) ESR2HTR2CALDH1A1LMNA
SCHEMBL12766871 0.73 ERN1 (0.58) ERN1
SCHEMBL27551121 0.73 ESR2 (0.53) ESR2HTR2AHTR2CHTR2BALDH1A1
SCHEMBL2788053 0.72 ERN1 (0.78) ERN1ALDH1A1LMNA
SCHEMBL6758138 0.72 CA1 (0.44) ESR2HTR2AHTR2CHTR2BALDH1A1

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-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ERN1 3/4885ESR2 442/4885HTR2A 4556/4885

“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.