SCHEMBL5240697

SCHEMBL5240697

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.37
HTR2C P28335 1/20 0.36
ESR2 Q92731 1/20 0.35
ALDH1A1 P00352 3/20 0.35
LMNA P02545 1/20 0.35
SLC18A3 Q16572 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 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
SCHEMBL18866771 0.78 HTR2C (0.51) HTR2C
Biphenyl SCHEMBL8985997 0.74 ALDH1A1 (0.45) ALDH1A1LMNA
SCHEMBL17993740 0.72 SIGMAR1 (0.39) SIGMAR1HTR2CESR2SLC18A3
SCHEMBL14336758 0.72 PLAU (0.41) SIGMAR1HTR2CESR2SLC18A3
SCHEMBL10930465 0.72 SIGMAR1 (0.39) SIGMAR1HTR2CESR2SLC18A3
SCHEMBL14336997 0.72 MAT2A (0.45) SIGMAR1HTR2CESR2ALDH1A1SLC18A3
SCHEMBL5239393 0.72 MAT2A (0.45) SIGMAR1HTR2CESR2ALDH1A1SLC18A3
SCHEMBL19746393 0.72 NPC1 (0.46) ESR2ALDH1A1LMNAGAA
Biphenyl SCHEMBL958819 0.69 G6PC1 (0.40) ALDH1A1LMNA
Biphenyl SCHEMBL28165827 0.69 G6PC1 (0.40) ALDH1A1LMNA

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 SIGMAR1 2455/4885HTR2C 3081/4885ESR2 1825/4885
US-20020016473-A1 Catalytic processes employing chiral imidazolidinone-based catalyst composition COASY, ALDH3A1, TALDO1 SIGMAR1 2493/4885HTR2C 4113/4885ESR2 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.