SCHEMBL6153468

SCHEMBL6153468

CCCCCCCc1ccccc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.58
TAAR1 Q96RJ0 3/20 0.52
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
BID P55957 3/20 0.45
MCL1 Q07820 3/20 0.45
BCL2L1 Q07817 2/20 0.45
BAK1 Q16611 2/20 0.45
KAT8 Q9H7Z6 2/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
EP300 Q09472 1/20 0.45
KAT2A Q92830 1/20 0.45
KAT2B Q92831 1/20 0.45
KAT5 Q92993 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
KCNH2 Q12809 1/20 0.44
RECQL P46063 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
SCHEMBL10383680 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL8766460 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL5599119 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL31591865 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL14636127 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL9835429 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL27574851 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL28299135 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL31591893 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID
SCHEMBL5599418 1.00 LIPG (0.58) LIPGTAAR1NR1H2NR1H3BID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110627831-A Bibiaryl acetal phosphines, their preparation and use in coupling reactions 东莞市均成高新材料有限公司 2019-12-31 CN disclosed
US-20160359116-A1 Organic Semiconductor Formulations SMARTKEM LIMITED (GB) 2016-12-08 US disclosed
CN-1930145-B Cycloalkanopyridine derivative MSD CO LTD 2011-06-15 CN disclosed
CN-1930145-A Cycloalkanopyridine derivative BANYU PHARMA CO LTD (JP) 2007-03-14 CN disclosed
CN-1266098-C Substituted dicyclohexylalkyl diphenyl derivative with good low-tomp, mutual solubility, its preparation and application SHIJIAZHUANG YONGSHENG HUATSIN (CN) 2006-07-26 CN disclosed
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
CN-1477089-A Substituted dicyclohexylalkyl diphenyl derivative with good low-tomp, mutual solubility, its preparation and application 石家庄实力克液晶材料有限公司 2004-02-25 CN 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
US-4554360-A DIARYLIODONIUM SALT, IODOARENE, COUPLING NIPPON PETROCHEMICALS COMPANY, LIMITED (JP) 1985-11-19 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-20030216570-A1 Dihydrobenzofuran and dihydrobenzothiophene 2,4-pentadienoic acid derivatives having selective activity for retinoid X (RXR) receptors RXRB, RXRA, RXRG LIPG 3477/4885TAAR1 374/4885NR1H2 13/4885

“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.