SCHEMBL4197091

SCHEMBL4197091

CCCCCCCCc1ccc(-c2ccc(C(=O)NCc3ccccc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.66
HDAC3 O15379 6/20 0.64
RARB P10826 5/20 0.63
MEN1 O00255 1/20 0.63
ALDH1A1 P00352 1/20 0.63
RARA P10276 1/20 0.63
MAPT P10636 1/20 0.63
MTOR P42345 1/20 0.63
KMT2A Q03164 1/20 0.63
EPHX2 P34913 1/20 0.62
NR1H4 Q96RI1 1/20 0.62
HDAC1 Q13547 4/20 0.62
HDAC2 Q92769 3/20 0.62
HDAC4 P56524 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60

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
SCHEMBL12338972 0.90 HDAC3 (0.67) TRPV1HDAC3HDAC1HDAC2HDAC4
SCHEMBL4187450 0.90 NPC1 (0.67) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL6022076 0.87 TRPV1 (0.59) TRPV1HDAC3RARBMEN1ALDH1A1
SCHEMBL15921857 0.83 TRPV1 (0.71) TRPV1HDAC3ALDH1A1
SCHEMBL539059 0.81 EPHX2 (0.84) TRPV1HDAC3EPHX2NR1H4HDAC1
SCHEMBL22556340 0.81 TRPV1 (0.84) TRPV1RARBMEN1ALDH1A1RARA
SCHEMBL28643603 0.81 PPARG (0.67) HDAC3MAPTEPHX2NR1H4HDAC1
SCHEMBL7740315 0.81 S1PR1 (0.62) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL23484726 0.80 PLK1 (0.79) RARBMEN1ALDH1A1RARAMAPT
SCHEMBL4185605 0.80 RARB (0.69) RARBMEN1ALDH1A1RARAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO 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-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG TRPV1 1100/4885HDAC3 2436/4885RARB 1/4885

“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.