SCHEMBL4583252

SCHEMBL4583252

Cc1ccccc1C(C)(CO)c1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.43
GABRB2 P47870 1/20 0.43
TSHR P16473 2/20 0.39
ACHE P22303 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 1/20 0.38
CASR P41180 1/20 0.38
ATM Q13315 2/20 0.37
POLB P06746 1/20 0.37
CHRM3 P20309 2/20 0.35
CA2 P00918 1/20 0.34
TRPA1 O75762 1/20 0.34
PDK1 Q15118 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
CTNNB1 P35222 1/20 0.33
WNT3A P56704 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL872872 0.82 GABRA1 (0.43) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL3641431 0.80 GABRA1 (0.42) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL5150512 0.80 GABRA1 (0.42) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL28512426 0.77 TSHR (0.39) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL15314792 0.76 ACHE (0.38) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL585411 0.75 CYP2C19 (0.50) GABRA1GABRB2TSHRALDH1A1TDP1
Alcohol SCHEMBL11617474 0.74 GABRA1 (0.41) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL1838499 0.74 ALDH1A1 (0.50) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL874172 0.73 CASR (0.53) GABRA1GABRB2TSHRACHEALDH1A1
SCHEMBL796229 0.73 GABRA1 (0.48) GABRA1GABRB2TSHRACHEALDH1A1

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
EP-3006547-B1 FRAGRANCE-CONTAINING CAPSULE AND COSMETIC IN WHICH SAID CAPSULES ARE BLENDED SHISEIDO CO LTD (JP) 2019-10-30 EP claimed
EP-3218425-B1 SILICONE COMPOUNDS PROCTER & GAMBLE (US) 2020-05-13 EP disclosed
EP-3572449-A1 SILICONE COMPOUNDS The Procter & Gamble Company (US) 2019-11-27 EP disclosed
EP-1900800-A2 4-phenyl-pentan-2-ol as odorous and aromatic substance Symrise GmbH & Co. KG (DE) 2008-03-19 EP disclosed
US-20080064625-A1 4-Phenylpentan-2-ol as a fragrance and flavouring SYMRISE GMBH & CO. KG (DE) 2008-03-13 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 (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-20080064625-A1 4-Phenylpentan-2-ol as a fragrance and flavouring PNN, P4HA1, DPM1 GABRA1 1023/4885GABRB2 1097/4885TSHR 4611/4885

“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.