SCHEMBL12389888

SCHEMBL12389888

COC(=O)c1ccc2c(c1)C(c1ccc(Cl)cc1OC)=CCC2

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MAPK14 Q16539 2/20 0.40
▸ MAPT P10636 4/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ APLNR P35414 1/20 0.37
▸ SLC6A3 Q01959 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B3 P37058 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL12389091 0.90 SRD5A1 (0.48) RAB9AALDH1A1APLNR
SCHEMBL12365327 0.88 SLC6A3 (0.46) MEN1KMT2AMAPK14MAPTNPC1
SCHEMBL12365683 0.87 BRD4 (0.39) MEN1KMT2AMAPK14MAPTNPC1
SCHEMBL12389839 0.87 KMT2A (0.44) KMT2AMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12389781 0.86 MAPK14 (0.48) MAPK14MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL12365301 0.86 MAPK14 (0.43) MEN1KMT2AMAPK14MAPTALDH1A1
SCHEMBL12365758 0.85 MEN1 (0.40) MEN1KMT2AMAPK14MAPTNPC1
SCHEMBL12365832 0.85 MAPK14 (0.44) MEN1KMT2AMAPK14MAPTNPC1
SCHEMBL12389756 0.85 MAPT (0.45) MEN1KMT2AMAPK14MAPTRAB9A
SCHEMBL12365662 0.84 SLC6A3 (0.36) MEN1KMT2AMAPK14MAPTNPC1

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 MEN1 4480/4885KMT2A 2505/4885MAPK14 3304/4885

“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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