SCHEMBL4469435

SCHEMBL4469435

Cc1cccc(CC(C)C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.49
PLA2G10 O15496 3/20 0.48
PLA2G2A P14555 3/20 0.48
FFAR1 O14842 3/20 0.48
PLA2G1B P04054 1/20 0.48
PLA2G5 P39877 1/20 0.48
PLA2G2C Q5R387 1/20 0.48
PLA2G12B Q9BX93 1/20 0.48
PLA2G12A Q9BZM1 1/20 0.48
PLA2G2F Q9BZM2 1/20 0.48
PLA2G3 Q9NZ20 1/20 0.48
PLA2G2E Q9NZK7 1/20 0.48
PLA2G2D Q9UNK4 1/20 0.48
TBXAS1 P24557 2/20 0.48
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
CTSB P07858 2/20 0.45

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
SCHEMBL19295495 1.00 CTBP2 (0.49) CTBP2PLA2G10PLA2G2AFFAR1PLA2G1B
SCHEMBL8257100 0.89 TBXAS1 (0.53) PLA2G10PLA2G2AFFAR1PLA2G1BPLA2G5
SCHEMBL24899382 0.86 MAOB (0.45) CTBP2MEN1MAPTKMT2ACTSB
SCHEMBL9631293 0.86 MAOB (0.45) CTBP2MEN1MAPTKMT2ACTSB
SCHEMBL7440986 0.85 CTBP2 (0.51) CTBP2MEN1MAPTKMT2APPARG
SCHEMBL24915424 0.84 POLB (0.47) CTBP2PLA2G10PLA2G2APLA2G1BPLA2G5
SCHEMBL7381207 0.84 CYP1A2 (0.62) CTBP2PPARGPPARA
SCHEMBL30963031 0.83 MEN1 (0.50) CTBP2MEN1MAPTKMT2APOLB
SCHEMBL17929000 0.83 MEN1 (0.50) CTBP2MEN1MAPTKMT2APOLB
SCHEMBL15093693 0.83 MEN1 (0.50) CTBP2MEN1MAPTKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815935-B2 Inhibitors of protein prenyltransferases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-26 US disclosed
EP-2065360-B1 Use of 3-methylbenzyl isobutyrate as a fragrance compound SYMRISE AG (DE) 2013-06-19 EP disclosed
US-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-04-25 US disclosed
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-07-21 US disclosed
EP-1747186-B1 Fragrant composition comprising 3-methylbenzyl-isobutyrat SYMRISE GMBH & CO KG (DE) 2009-03-11 EP 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-20130102639-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CTBP2 1088/4885PLA2G10 571/4885PLA2G2A 684/4885
US-20110178138-A1 INHIBITORS OF PROTEIN PRENYLTRANSFERASES RABGGTA, FNTA, RABGGTB CTBP2 1088/4885PLA2G10 571/4885PLA2G2A 684/4885

“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.