SCHEMBL9631362

SCHEMBL9631362

Cc1cccc(CC(C)C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 2/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
ACHE P22303 1/20 0.39
CTBP2 P56545 1/20 0.39
GPR84 Q9NQS5 1/20 0.39
POLB P06746 2/20 0.38
DAO P14920 1/20 0.38

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
SCHEMBL1654191 0.83 TP53 (0.49) TP53TSHRTAAR1MAOAMEN1
SCHEMBL9631969 0.80 TP53 (0.48) TP53TSHRMAOANR3C1PGR
SCHEMBL9600634 0.80 TP53 (0.46) TP53TSHRTAAR1MAOAMAOB
SCHEMBL8346882 0.80 TAAR1 (0.47) TAAR1IDO1MAOAMAOBNR3C1
SCHEMBL229402 0.80 TP53 (0.46) TP53TSHRTAAR1ALDH1A1MEN1
SCHEMBL27864550 0.80 PNMT (0.62) TP53TSHRTAAR1IDO1MAPT
SCHEMBL14553263 0.79 NR3C1 (0.46) TAAR1IDO1MAOAMAOBNR3C1
SCHEMBL9631297 0.79 TAAR1 (0.42) TAAR1IDO1MAOAMAOBNR3C1
SCHEMBL97559 0.78 TP53 (0.60) TP53TSHRTAAR1MAOACYP2D6
SCHEMBL598282 0.78 TAAR1 (0.52) TAAR1IDO1MAOAMAOBNR3C1

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
EP-0343182-B1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1992-05-06 EP claimed
EP-0343182-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS. CONSORTIUM ELEKTROCHEM IND (DE) 1989-11-29 EP claimed
WO-1988005770-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1988-08-11 WO claimed
US-20230399284-A1 ALDEHYDE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-14 US disclosed
US-20230399284-A1 ALDEHYDE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2023-12-14 US disclosed
EP-0343182-B1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1992-05-06 EP disclosed
EP-0343182-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS, THEIR PRODUCTION AND THEIR USE AS AROMATICS. CONSORTIUM ELEKTROCHEM IND (DE) 1989-11-29 EP disclosed
WO-1988005770-A1 ALCOHOLS WITH 3-METHYL OR 3,5-DIMETHYL GROUPS THEIR PRODUCTION AND THEIR USE AS AROMATICS Consortium für elektrochemische Industrie GmbH (DE) 1988-08-11 WO 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-20230399284-A1 ALDEHYDE COMPOSITION ALDH1A1, ALDH2, ALDH1B1 TP53 3365/4885TSHR 4752/4885TAAR1 628/4885

“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.