SCHEMBL7634646

SCHEMBL7634646

C#CCc1ccccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.53
TAAR1 Q96RJ0 3/20 0.46
IDO1 P14902 2/20 0.45
TSHR P16473 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP2A13 Q16696 1/20 0.37
PLCG1 P19174 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
BLM P54132 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL10455225 0.82 PYCR1 (0.39) PYCR1TAAR1IDO1TSHRCYP1A2
SCHEMBL20832269 0.76 PYCR1 (0.36) PYCR1IDO1TSHRCYP1A2CYP1A1
SCHEMBL29446718 0.76 CYP1A2 (0.48) PYCR1TAAR1IDO1TSHRCYP1A2
SCHEMBL97462 0.76 TAAR1 (0.52) PYCR1TAAR1IDO1TSHRCYP1A2
SCHEMBL6299 0.76 CYP1A2 (0.48) PYCR1TAAR1IDO1TSHRCYP1A2
Methylamine SCHEMBL28202791 0.75 PYCR1 (0.39) PYCR1TAAR1IDO1TSHRCYP1A2
Ammonia Solution, Strong SCHEMBL28135352 0.74 CYP1A2 (0.46) PYCR1TAAR1IDO1TSHRCYP1A2
SCHEMBL5325998 0.73 IDO1 (0.52) PYCR1TAAR1IDO1TSHRCYP1A2
SCHEMBL3645165 0.71 TAAR1 (0.46) PYCR1TAAR1TSHRCYP2A13HPGD
SCHEMBL11516976 0.71 APOBEC3G (0.43) PYCR1TAAR1TSHRHPGDL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110590722-B Synthesis method of 2-trifluoromethyl benzofuran derivative 温州大学 2022-11-04 CN disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 US disclosed
CN-110590722-A Synthesis method of 2-trifluoromethyl benzofuran derivative 温州大学 2019-12-20 CN disclosed
US-6365779-B2 OLEFIN POLYMERIZATION CATALYSTS THE DOW CHEMICAL COMPANY 2002-04-02 US disclosed
US-20010007044-A1 Boratabenzene cocatalyst with metallocene catalyst DEVORE DAVID D (US) 2001-07-05 US disclosed
US-6255246-B1 OLEFIN POLYMERIZATION THE DOW CHEMICAL COMPANY 2001-07-03 US disclosed
EP-0889911-B1 METALLOCENE COCATALYST DOW CHEMICAL CO (US) 2000-11-02 EP disclosed
EP-0889911-A1 METALLOCENE COCATALYST THE DOW CHEMICAL COMPANY (US) 1999-01-13 EP disclosed
WO-1997036937-A1 METALLOCENE COCATALYST THE DOW CHEMICAL COMPANY (US) 1997-10-09 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 (2 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-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV PYCR1 4590/4885TAAR1 4791/4885IDO1 4546/4885
US-20010007044-A1 Boratabenzene cocatalyst with metallocene catalyst MFAP1, PFAS, FLNB PYCR1 2609/4885TAAR1 1783/4885IDO1 3848/4885

“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.