SCHEMBL7705580

SCHEMBL7705580

Cc1cccc(C(=O)CCCCl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 4/20 0.55
WNT3A P56704 4/20 0.55
PARP1 P09874 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
KCNK3 O14649 1/20 0.44
KCNH2 Q12809 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44

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
SCHEMBL11382023 0.89 CTNNB1 (0.58) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL30089541 0.85 CTNNB1 (0.70) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL29062364 0.85 CTNNB1 (0.70) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL4931177 0.84 CTNNB1 (0.56) CTNNB1WNT3APARP1HPGDSMN1; SMN2
SCHEMBL10790439 0.83 CTNNB1 (0.55) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL2743419 0.83 HDAC3 (0.58) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL10792422 0.83 PARP1 (0.59) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL6984707 0.82 TPMT (0.45) KMT2ALMNAMAPTTDP1HDAC8
SCHEMBL5883556 0.82 TRPA1 (0.57) CTNNB1WNT3APARP1MEN1KMT2A
SCHEMBL30954404 0.82 TRPA1 (0.57) CTNNB1WNT3APARP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
EP-1183251-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS Almirall Prodesfarma, S.A. (ES) 2002-03-06 EP disclosed
WO-2000075130-A1 INDOLYLPIPERIDINE DERIVATIVES AS ANTIHISTAMINIC AND ANTIALLERGIC AGENTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-12-14 WO disclosed
US-3960961-A 4'-Fluoro-4-{[4-(phenyl)cyclohexyl]amino}butyrophenones and the salts thereof THE UPJOHN COMPANY (US) 1976-06-01 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 CTNNB1 2535/4885WNT3A 484/4885PARP1 4353/4885

“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.