SCHEMBL6152931

SCHEMBL6152931

CCCCCCC(O)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.47
CSNK1E P49674 1/20 0.44
PPARA Q07869 3/20 0.41
RECQL P46063 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
SOAT1 P35610 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ASAH1 Q13510 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9646398 1.00 PPARG (0.47) PPARGCSNK1EPPARARECQLCYSLTR2
SCHEMBL8499483 1.00 PPARG (0.47) PPARGCSNK1EPPARARECQLCYSLTR2
SCHEMBL10060891 0.98 PPARG (0.45) PPARGCSNK1EPPARARECQLCYSLTR2
SCHEMBL15094197 0.93 ALDH1A1 (0.41) PPARGCSNK1ERECQLMEN1KMT2A
SCHEMBL6741649 0.87 HTT (0.40) PPARGMEN1KMT2ASLC18A3SIGMAR1
SCHEMBL6684572 0.87 HTT (0.40) PPARGMEN1KMT2ASLC18A3SIGMAR1
SCHEMBL23169058 0.84 CYSLTR2 (0.47) PPARGCSNK1ERECQLCYSLTR2CYSLTR1
SCHEMBL22358954 0.84 CYSLTR2 (0.47) PPARGCSNK1ERECQLCYSLTR2CYSLTR1
SCHEMBL23190512 0.82 RECQL (0.43) PPARGCSNK1ERECQLCYSLTR2CYSLTR1
SCHEMBL31357687 0.81 SLC18A3 (0.39) PPARGSLC18A3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499604-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS Allergan, Inc. (US) 2005-01-26 EP disclosed
US-6720423-B2 SKIN RELATED DISEASES; PROMOTE THE EXPRESSION OF OR BIND TO RECEPTORS BELONGING TO THE STEROID OR THYROID RECEPTOR SUPERFAMILY. ALLERGAN, INC. 2004-04-13 US disclosed
US-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors ALLERGAN, INC. 2003-11-20 US disclosed
WO-2003093257-A1 DIHYDROBENZOFURAN AND DIHYDROBENZOTHIOPHENE 2,4-PENTAIDENOIC ACID DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X (RXR) RECEPTORS ALLERGAN, INC. (US) 2003-11-13 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-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors RXRB, RXRA, RXRG PPARG 26/4885CSNK1E 2228/4885PPARA 34/4885

“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.