SCHEMBL5239393

SCHEMBL5239393

O[C@H]1CC=C(c2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.45
SLC18A3 Q16572 2/20 0.42
ESR2 Q92731 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
FFAR1 O14842 1/20 0.39
HTR2C P28335 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL14336997 1.00 MAT2A (0.45) MAT2ASLC18A3ESR2SIGMAR1FFAR1
SCHEMBL9715313 0.82 ESR2 (0.61) MAT2AESR2FFAR1TBK1
SCHEMBL8408671 0.81 SLC18A3 (0.38) MAT2ASLC18A3SIGMAR1HTR2CALDH1A1
SCHEMBL11829709 0.81 FFAR1 (0.41) MAT2AESR2FFAR1TBK1ALDH1A1
SCHEMBL11833545 0.80 ESR2 (0.42) MAT2AESR2SIGMAR1TBK1ALDH1A1
SCHEMBL18905381 0.80 ESR2 (0.42) MAT2AESR2FFAR1TBK1
SCHEMBL19297360 0.80 HTR2C (0.43) MAT2AESR2SIGMAR1FFAR1HTR2C
SCHEMBL11841493 0.80 ESR2 (0.42) MAT2ASLC18A3ESR2FFAR1TBK1
SCHEMBL11829150 0.80 SLC18A3 (0.45) MAT2ASLC18A3ESR2SIGMAR1HTR2C
SCHEMBL11839749 0.76 PDE3B (0.43) ESR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263735-B1 ACID ADDITION SALTS OF IMIDAZOLIDINONES AS REACTION CATALYSTS UNIV CALIFORNIA (US) 2007-07-04 EP disclosed
US-6534434-B2 Catalyst for unsaturated carbonyl compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-03-18 US disclosed
US-6515137-B2 Enantioselectivity of alpha,beta-unsaturated aldehydes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-02-04 US disclosed
US-6369243-B1 ACID CATALYST THE REGENTS OF THE UNIVERISITY OF CALIFORNIA 2002-04-09 US disclosed
US-20020016473-A1 Catalytic processes employing chiral imidazolidinone-based catalyst composition MACMILLAN DAVID W C (US) 2002-02-07 US disclosed
US-20020013475-A1 Chiral imidazolidinone-based catalyst composition and reaction system MACMILLAN DAVID W C (US) 2002-01-31 US disclosed
US-6307057-B1 CATALYZE ENANTIOSELECTIVE REACTIONS, E.G., DIELS-ALDER REACTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-10-23 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-20020013475-A1 Chiral imidazolidinone-based catalyst composition and reaction system COASY, DHPS, INTS9 MAT2A 937/4885SLC18A3 4826/4885ESR2 1825/4885
US-20020016473-A1 Catalytic processes employing chiral imidazolidinone-based catalyst composition COASY, ALDH3A1, TALDO1 MAT2A 847/4885SLC18A3 4719/4885ESR2 2246/4885

“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.