SCHEMBL2802726

SCHEMBL2802726

OC(C#Cc1ccccc1)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.40
CACNB2 Q08289 1/20 0.40
CACNA1C Q13936 1/20 0.40
TSHR P16473 1/20 0.39
APP P05067 1/20 0.39
HSD17B2 P37059 1/20 0.39
IDO1 P14902 1/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALPG P10696 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP12 P39900 1/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL29288285 0.93 TSHR (0.44) CACNA2D1CACNB2CACNA1CTSHRHSD17B2
SCHEMBL17845069 0.90 APP (0.48) CACNA2D1CACNB2CACNA1CTSHRAPP
SCHEMBL2519799 0.86 TSHR (0.52) CACNA2D1CACNB2CACNA1CTSHRAPP
SCHEMBL2801832 0.86 TSHR (0.52) CACNA2D1CACNB2CACNA1CTSHRAPP
SCHEMBL8681264 0.83 CYP1A1 (0.44) CACNA2D1CACNB2CACNA1CTSHRAPP
SCHEMBL20865650 0.82 ACHE (0.45) HSD17B2LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL4649365 0.82 APP (0.43) APPHSD17B2IDO1LMNAALDH1A1
SCHEMBL9669350 0.81 HTR2A (0.40) CACNA2D1CACNB2CACNA1CTSHRAPP
SCHEMBL2683928 0.81 CACNA2D1 (0.40) CACNA2D1CACNB2CACNA1CTSHRAPP
SCHEMBL2686081 0.81 VCP (0.46) CACNA2D1CACNB2CACNA1CTSHRAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461501-A Green method for high-selectivity synthesis of chalcone compounds 温州大学 2021-10-01 CN disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
US-7763734-B2 Synthesis, structure and use of bisoxazolidines for asymmetric catalysis and synthesis GEORGETOWN UNIVERSITY (US) 2010-07-27 US disclosed
EP-2066651-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2, 1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM Essilor International (Compagnie Générale D'Optique) (FR) 2009-06-10 EP disclosed
WO-2008028930-A1 6-(BIPHENYL-ESTER)-3H-NAPHTHO[2, 1-B]PYRANS AS PHOTOCHROMIC DICHROIC DYES AND OPTICAL ARTICLE CONTAINING THEM ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2008-03-13 WO disclosed
WO-2007140058-A1 PHOTOCHROMIC MATERIALS COMPRISING METALLOCENYL GROUPS TRANSITIONS OPTICAL, INC. (US) 2007-12-06 WO disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 US disclosed
US-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS GEORGETOWN UNIVERSITY 2007-11-15 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-20070265255-A1 SYNTHESIS, STRUCTURE AND USE OF BISOXAZOLIDINES FOR ASYMMETRIC CATALYSIS AND SYNTHESIS ADH5, ADH1C, ADH1A CACNA2D1 2691/4885CACNB2 3433/4885CACNA1C 3359/4885

“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.