SCHEMBL12390118

SCHEMBL12390118

COc1cccc(C2=CCCc3ccc(C(=O)O)cc32)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 2/20 0.45
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ 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
▸ SRD5A2 P31213 2/20 0.39
▸ SRD5A1 P18405 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL12390109 0.90 MAPK14 (0.40) HTTRAB9AALDH1A1HPGDL3MBTL1
SCHEMBL12390182 0.88 SRD5A2 (0.46) MRGPRX4LMNAHTTRAB9AMAPK1
SCHEMBL12389841 0.86 LMNA (0.45) MRGPRX4LMNAHTTRAB9AMAPK1
SCHEMBL12389723 0.85 LMNA (0.45) MRGPRX4LMNAHTTRAB9AMAPK1
SCHEMBL12389323 0.85 HTR5A (0.43) RAB9AMAPTSMN1; SMN2
SCHEMBL12389802 0.85 LMNA (0.47) MRGPRX4LMNAHTTRAB9AMAPK1
SCHEMBL12389028 0.85 LMNA (0.44) LMNAHTTRAB9AMAPK1CA12
SCHEMBL12365838 0.85 SRD5A2 (0.42) MRGPRX4SRD5A2SRD5A1ALDH1A1TTR
SCHEMBL12365412 0.84 SRD5A2 (0.43) MRGPRX4SRD5A2SRD5A1ALDH1A1POLB
SCHEMBL12390277 0.84 LMNA (0.40) MRGPRX4LMNAHTTRAB9AMAPK1

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 MRGPRX4 2358/4885LMNA 3515/4885HTT 335/4885

“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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