SCHEMBL5599418

SCHEMBL5599418

CCCCCCCCCc1ccccc1Br

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
SCHEMBL6153468 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106398080-B A kind of ammonium cross-linking type block copolymer/graphene composite material and preparation method thereof 北京化工大学 2018-12-04 CN claimed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
CN-101503625-B Preparation method of 1,2-diaryl ethine liquid crystal UNIV SHAANXI NORMAL 2012-07-04 CN disclosed
CN-101503625-A Preparation of 1,2-diaryl ethine liquid crystal UNIV SHAANXI NORMAL (CN) 2009-08-12 CN disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP disclosed
EP-0225602-B1 ALPHA-HYDROXYTHIO ETHERS CIBA-GEIGY AG (CH) 1991-10-09 EP disclosed
EP-0228045-B1 AROMATIC THIOETHERS CIBA-GEIGY AG (CH) 1991-04-03 EP disclosed
US-4808572-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
EP-0123543-B1 LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION AND USE AND COMPOSITIONS CONTAINING THEM MERCK FROSST CANADA INC. (CA) 1988-02-03 EP disclosed
EP-0228045-A2 Aromatic thioethers CIBA-GEIGY AG (CH) 1987-07-08 EP disclosed
EP-0225602-A2 Alpha-hydroxythio ethers CIBA-GEIGY AG (CH) 1987-06-16 EP disclosed
US-4609744-A 4-oxo-benzopyran carboxylic acids MERCK FROSST CANADA INC. (CA) 1986-09-02 US disclosed
EP-0123543-A1 Leukotriene antagonists, their production and use and compositions containing them MERCK FROSST CANADA INC. (CA) 1984-10-31 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 (3 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 LIPG 4027/4885TAAR1 3993/4885NR1H2 4602/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 LIPG 4027/4885TAAR1 3993/4885NR1H2 4602/4885
US-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 LIPG 2599/4885TAAR1 1971/4885NR1H2 96/4885

“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.