SCHEMBL3302772

SCHEMBL3302772

Cc1cccc([CH]c2cccc(C)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
NPC1 O15118 2/20 0.62
CASP3 P42574 1/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
ACHE P22303 4/20 0.58
PTGS1 P23219 3/20 0.52
PTGS2 P35354 3/20 0.52
ALOX5 P09917 1/20 0.52
RELA Q04206 1/20 0.50
FBP1 P09467 1/20 0.50
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL3298140 0.93 TP53 (0.58) TP53TDP1NPC1CASP3SENP8
SCHEMBL18240768 0.91 TP53 (0.56) TP53TDP1NPC1CASP3SENP8
SCHEMBL2357901 0.91 TP53 (0.56) TP53TDP1NPC1CASP3SENP8
SCHEMBL18240697 0.87 ACHE (0.64) TP53TDP1NPC1CASP3SENP8
SCHEMBL18240555 0.87 TP53 (0.52) TP53TDP1NPC1CASP3SENP8
SCHEMBL1795130 0.83 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8
SCHEMBL21847980 0.83 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8
SCHEMBL1795132 0.83 PTGS1 (0.69) TP53TDP1NPC1CASP3SENP8
SCHEMBL18240767 0.83 ACHE (0.67) TP53TDP1ACHERELAFBP1
SCHEMBL18240763 0.82 RELA (0.74) TP53TDP1NPC1CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
EP-4400520-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER The University of Tokyo (JP) 2024-07-17 EP disclosed
CN-118176220-A Catalyst for olefin polymerization and process for producing olefin polymer 国立大学法人东京大学 2024-06-11 CN disclosed
WO-2023037849-A1 CATALYST FOR OLEFIN POLYMERIZATION AND METHOD FOR PRODUCING OLEFIN POLYMER 国立大学法人 東京大学 2023-03-16 WO disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
US-20070189058-A1 Molecular system and method for reversibly switching the same between four states HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-08-16 US disclosed
US-20070112103-A1 Molecular system and method for reversibly switching the same HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2007-05-17 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 (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-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 TP53 4777/4885TDP1 4412/4885NPC1 495/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 TP53 4084/4885TDP1 4358/4885NPC1 1795/4885

“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.