SCHEMBL12389091

SCHEMBL12389091

COc1cc(Cl)ccc1C1=CCCc2ccc(C(=O)O)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 2/20 0.48
▸ SRD5A2 P31213 2/20 0.48
▸ TTR P02766 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ CA12 O43570 1/20 0.40
▸ CA1 P00915 1/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ TPMT P51580 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ PYGL P06737 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ CPT1A P50416 4/20 0.39
▸ CPT1B Q92523 4/20 0.39
▸ CPT2 P23786 3/20 0.39
▸ HTT P42858 2/20 0.39

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
SCHEMBL12389888 0.90 MEN1 (0.45) APLNRRAB9AALDH1A1
SCHEMBL12389015 0.87 LMNA (0.49) CA12CA1CA2CA4CA6
SCHEMBL12389028 0.86 LMNA (0.44) SRD5A1SRD5A2CA12CA1CA2
SCHEMBL12390239 0.85 HTR2B (0.44) —
SCHEMBL12365698 0.84 SRD5A2 (0.51) SRD5A1SRD5A2TTRMRGPRX4ALDH1A1
SCHEMBL12390182 0.84 SRD5A2 (0.46) SRD5A1SRD5A2TTRMRGPRX4CA12
SCHEMBL12365335 0.84 SRD5A2 (0.54) SRD5A1SRD5A2TTRPYGLRAB9A
SCHEMBL12389785 0.83 CYP11B1 (0.40) MRGPRX4CA12CA1CA2CA4
SCHEMBL12365317 0.82 SRD5A2 (0.51) SRD5A1SRD5A2TTRMRGPRX4ALDH1A1
SCHEMBL12365786 0.82 SRD5A2 (0.48) SRD5A1SRD5A2TTRMRGPRX4ALDH1A1

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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2011-08-25 — — 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-20110207729-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E SRD5A1 247/4885SRD5A2 412/4885TTR 3588/4885

“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.

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