SCHEMBL12389028

SCHEMBL12389028

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.44
▸ HTT P42858 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ CCNT1 O60563 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ MAPK14 Q16539 2/20 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 0.39
▸ ERAP1 Q9NZ08 1/20 0.38
▸ LPAR1 Q92633 3/20 0.38
▸ LPAR5 Q9H1C0 3/20 0.38

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
SCHEMBL12389802 0.91 LMNA (0.47) LMNAHTTMAPK1RAB9ACCNT1
SCHEMBL12389781 0.90 MAPK14 (0.48) LMNARAB9ACCNT1CDK9MAPK14
SCHEMBL12389015 0.87 LMNA (0.49) LMNAHTTMAPK1CA12CA1
SCHEMBL12390182 0.87 SRD5A2 (0.46) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12389091 0.86 SRD5A1 (0.48) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12390118 0.85 MRGPRX4 (0.45) LMNAHTTMAPK1RAB9ACA12
SCHEMBL12389848 0.85 SLC9A1 (0.43) HTR7
SCHEMBL12365086 0.84 MAPK14 (0.43) MAPK14SRD5A1SRD5A2ALDH1A1L3MBTL1
SCHEMBL12389912 0.84 LMNA (0.45) LMNAHTTMAPK1RAB9AMAPK14
SCHEMBL12365411 0.84 MAPK14 (0.50) LMNAMAPK14CA1CA2SRD5A1

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 LMNA 3515/4885HTT 335/4885MAPK1 3710/4885

“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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