SCHEMBL12365330

SCHEMBL12365330

O=C(O)c1ccc2c(c1)C(c1ccc(F)cc1Cl)=CCC2

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.43
▸ SRD5A2 P31213 5/20 0.42
▸ SRD5A1 P18405 3/20 0.42
▸ PYGL P06737 4/20 0.40
▸ KDM4C Q9H3R0 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ FASN P49327 1/20 0.36
▸ TTR P02766 1/20 0.36
▸ HTR7 P34969 1/20 0.35
▸ NR3C2 P08235 2/20 0.35
▸ TDP2 O95551 1/20 0.35

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
SCHEMBL12365870 0.90 MAPK14 (0.41) MAPK14SRD5A2SRD5A1PYGLKDM4C
SCHEMBL12365411 0.87 MAPK14 (0.50) MAPK14SRD5A2SRD5A1KDM4CALDH1A1
SCHEMBL12365335 0.87 SRD5A2 (0.54) SRD5A2SRD5A1PYGLALDH1A1TSHR
SCHEMBL12365312 0.86 MAPK14 (0.48) MAPK14ALDH1A1
SCHEMBL12365086 0.85 MAPK14 (0.43) MAPK14SRD5A2SRD5A1KDM4CALDH1A1
SCHEMBL12365696 0.85 SRD5A2 (0.42) SRD5A2SRD5A1ALDH1A1TSHRTTR
SCHEMBL12365414 0.85 MAPK14 (0.45) MAPK14SRD5A2SRD5A1KDM4CALDH1A1
SCHEMBL2260725 0.84 HTR5A (0.51) HTR7
SCHEMBL12365007 0.83 SRD5A2 (0.49) SRD5A2SRD5A1ALDH1A1TSHRTTR
SCHEMBL12365096 0.83 MAPK14 (0.42) MAPK14SRD5A2SRD5A1KDM4CALDH1A1

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
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 MAPK14 3304/4885SRD5A2 412/4885SRD5A1 247/4885

“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.

Send feedback