SCHEMBL12388982

SCHEMBL12388982

COc1ccccc1C1=CCCCc2ccc(C(=O)O)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.44
▸ SRD5A1 P18405 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RAB9A P51151 4/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA4 P22748 1/20 0.41
▸ CA6 P23280 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ TPMT P51580 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ TTR P02766 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ HTT P42858 2/20 0.40

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
SCHEMBL12390182 0.93 SRD5A2 (0.46) SRD5A2SRD5A1LMNAKMT2ARAB9A
SCHEMBL12388971 0.89 MAPT (0.43) KMT2ARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12389908 0.85 HTR2B (0.47) RAB9AMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL12365294 0.84 SRD5A2 (0.47) SRD5A2SRD5A1KMT2AMAPTALDH1A1
SCHEMBL12389756 0.82 MAPT (0.45) KMT2ARAB9AMAPTSMN1; SMN2ALDH1A1
SCHEMBL12390118 0.81 MRGPRX4 (0.45) SRD5A2SRD5A1LMNARAB9AMAPT
SCHEMBL12365280 0.81 ALDH1A1 (0.49) SRD5A2SRD5A1MAPTALDH1A1TTR
SCHEMBL12389841 0.81 LMNA (0.45) SRD5A2SRD5A1LMNARAB9AMAPT
SCHEMBL12389853 0.80 TTR (0.49) SRD5A2SRD5A1LMNAKMT2AMAPT
SCHEMBL12389028 0.80 LMNA (0.44) SRD5A2SRD5A1LMNARAB9AALDH1A1

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 2 patents. 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
EP-2177505-A1 BICYCLIC ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2010-04-21 — — EP 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 SRD5A2 412/4885SRD5A1 247/4885LMNA 3515/4885

“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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