SCHEMBL12389043

SCHEMBL12389043

CN(C)Cc1cccc(C2=CCCc3ccc(C(=O)O)cc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.43
▸ BCL2 P10415 1/20 0.40
▸ MEP1B Q16820 5/20 0.39
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 2/20 0.39
▸ MCHR1 Q99705 4/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ CHUK O15111 1/20 0.37
▸ INSR P06213 1/20 0.37
▸ MAPK8 P45983 1/20 0.37
▸ CAMKK2 Q96RR4 1/20 0.37
▸ HTR2C P28335 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ MEP1A Q16819 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ PAX8 Q06710 1/20 0.36

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
SCHEMBL12365126 0.89 RXRA (0.44) RXRARXRBRXRGMCHR1CHUK
SCHEMBL12365255 0.88 KDM4E (0.41) MCHR1HTR7CHUKINSRMAPK8
SCHEMBL12365157 0.87 BCL2 (0.54) BCL2RXRARXRBNPC1POLB
SCHEMBL12365060 0.86 ACMSD (0.41) BCL2NPC1POLBRAB9AGFER
SCHEMBL12366703 0.86 HTR2B (0.40) AOC3MCHR1HTR7CHUKINSR
SCHEMBL12364993 0.81 RARB (0.50) RXRARXRBPOLB
SCHEMBL12365039 0.80 TDP2 (0.42) RXRARXRBNPC1RAB9AMRGPRX4
SCHEMBL12365081 0.80 RARA (0.48) —
SCHEMBL12365133 0.80 SRD5A2 (0.43) RXRARXRBRXRGPOLB
SCHEMBL12365001 0.79 SRD5A2 (0.40) —

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 AOC3 932/4885BCL2 468/4885MEP1B 3834/4885

“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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