SCHEMBL375325

SCHEMBL375325

Cc1cccc(C(C)CO)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 4/20 0.42
ADRA2B P18089 4/20 0.42
ADRA2C P18825 4/20 0.42
ADRA1A P35348 3/20 0.42
ADRA1B P35368 3/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 3/20 0.42
ADRA1D P25100 2/20 0.42
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 1/20 0.42
TP53 P04637 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
TRPA1 O75762 3/20 0.41
ATM Q13315 1/20 0.41
SLC6A2 P23975 2/20 0.41

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
SCHEMBL18793782 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL13159672 1.00 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL17963769 0.84 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL593086 0.83 ESR1 (0.46) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL27391011 0.81 TSHR (0.52) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL20738578 0.80 GABRA1 (0.39) ADRA2AADRA2BADRA2CTSHRCYP1A2
SCHEMBL9558664 0.79 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL25303539 0.79 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL16952251 0.78 TRPA1 (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B
SCHEMBL29337470 0.78 TRPA1 (0.40) ADRA2AADRA2BADRA2CADRA1AADRA1B

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 193 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111217756-A Preparation method of dexmedetomidine hydrochloride 南京亿华药业有限公司 2020-06-02 CN claimed
EP-3006547-B1 FRAGRANCE-CONTAINING CAPSULE AND COSMETIC IN WHICH SAID CAPSULES ARE BLENDED SHISEIDO CO LTD (JP) 2019-10-30 EP claimed
EP-3349861-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE Henkel AG & Co. KGaA (DE) 2018-07-25 EP claimed
WO-2017046052-A1 PERFUME COMPOSITION COMPRISING FRAGRANCE MODULATOR COMPOUNDS AND SILICIC ACID ESTERS FOR INCREASING AND PROLONGING THE INTENSITY OF FRAGRANCE HENKEL AG & CO. KGAA (DE) 2017-03-23 WO claimed
US-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN S.A. (CH) 2014-12-04 US claimed
EP-2766333-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL Givaudan SA (CH) 2014-08-20 EP claimed
WO-2013053787-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL GIVAUDAN SA (CH) 2013-04-18 WO claimed
EP-2248866-B1 FUNCTIONAL MATERIAL RELEASE AGENT KAO CORP (JP) 2013-04-03 EP claimed
EP-2251392-B1 AGENT FOR RELEASING FUNCTIONAL SUBSTANCE KAO CORP (JP) 2013-02-27 EP claimed
US-20130017990-A1 LILIAL SURROGATE HENKEL AG & CO., KGAA (DE) 2013-01-17 US claimed
EP-2408885-A1 LILIAL SURROGATE Henkel AG & Co. KGaA (DE) 2012-01-25 EP claimed
WO-2010105874-A1 LILIAL SURROGATE HENKEL AG & CO. KGAA (DE) 2010-09-23 WO claimed
WO-2010105873-A2 LILIAL SUBSTITUTE HENKEL AG & CO. KGAA (DE) 2010-09-23 WO claimed
EP-1099689-B1 Functional alcohol releasing substance KAO CORP (JP) 2005-08-03 EP claimed
EP-0622451-B1 Perfumed hypochlorite bleaching compositions PROCTER & GAMBLE (US) 1998-12-02 EP claimed
EP-3218459-B1 IMPROVEMENTS IN OR RELATING TO ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2025-09-03 EP disclosed
EP-3689849-B1 PERFUME PRECURSOR TAKASAGO PERFUMERY CO LTD (JP) 2025-01-15 EP disclosed
WO-1983000697-A1 POLYESTER COMPOSITION ETHYL CORP (US) 1983-03-03 WO disclosed
EP-0073042-A1 Polyester composition ETHYL CORPORATION (US) 1983-03-02 EP disclosed
US-4368145-A ALCOHOL ESTERS AND ALDEHYDE ESTERS INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1983-01-11 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-20140357547-A1 PROCESS FOR THE PREPARATION OF METHOXYMELONAL MSMO1, CYP17A1, CYP51A1 ADRA2A 506/4885ADRA2B 481/4885ADRA2C 541/4885

“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.