SCHEMBL1784812

SCHEMBL1784812

CCCCC(C)(O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.37
FDPS P14324 10/20 0.37
GGPS1 O95749 6/20 0.37
CES2 O00748 2/20 0.36
ALDH1A1 P00352 1/20 0.36
AR P10275 1/20 0.36

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
SCHEMBL1782079 0.93 FDPS (0.45) CES1FDPSGGPS1CES2
SCHEMBL1783264 0.91 FDPS (0.47) CES1FDPSGGPS1CES2
SCHEMBL31437039 0.91 FDPS (0.47) CES1FDPSGGPS1CES2
SCHEMBL1782787 0.91 FDPS (0.47) CES1FDPSGGPS1CES2
SCHEMBL1782214 0.84
SCHEMBL2103333 0.82 TSHR (0.43) ALDH1A1
SCHEMBL381209 0.82 TSHR (0.43) ALDH1A1
SCHEMBL605019 0.82 TSHR (0.43) ALDH1A1
SCHEMBL8529183 0.78 FDPS (0.40) CES1FDPSGGPS1CES2
SCHEMBL29416272 0.78 FDPS (0.40) CES1FDPSGGPS1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885395-A FROM HYDROXY-, ALKOXY-, OR CARBOXYKETONE; ACIDIC CATALYST BASF AKTIENGSELLSCHAFT (DE) 1989-12-05 US claimed
CN-102841504-B Positive photosensitive resin composition and method for forming pattern using the same CHI MEI CORP 2015-03-25 CN disclosed
US-8632792-B2 Cooling sensation agent composition and sensory stimulation agent composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-01-21 US disclosed
US-20120328799-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR FORMING PATTERNS BY USING THE SAME CHI MEI CORPORATION (TW) 2012-12-27 US disclosed
CN-102841504-A Positive photosensitive resin composition and method for forming pattern using the same CHI MEI CORP 2012-12-26 CN disclosed
US-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2011-05-19 US disclosed
WO-2009123355-A2 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-10-08 WO disclosed
EP-0262533-B1 METHOD FOR THE PRODUCTION OF ALPHA,BETA-UNSATURATED KETONES BASF Aktiengesellschaft (DE) 1993-01-20 EP disclosed
EP-0276767-B1 PROCESS FOR THE PREPARATION OF KETONES BASF Aktiengesellschaft (DE) 1992-04-08 EP disclosed
US-4885395-A FROM HYDROXY-, ALKOXY-, OR CARBOXYKETONE; ACIDIC CATALYST BASF AKTIENGSELLSCHAFT (DE) 1989-12-05 US disclosed
US-4866210-A DEHYDRATION, HYDROGENATION USING AN ACID CATALYST BASF AKTIENGESELLSCHAFT (DE) 1989-09-12 US disclosed
EP-0276767-A2 Process for the preparation of ketones BASF Aktiengesellschaft (DE) 1988-08-03 EP disclosed
EP-0262533-A2 Method for the production of alpha,beta-unsaturated ketones BASF Aktiengesellschaft (DE) 1988-04-06 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 (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-20110117147-A1 COOLING SENSATION AGENT COMPOSITION AND SENSORY STIMULATION AGENT COMPOSITION TRPA1, HRH1, HRH2 CES1 1998/4885FDPS 3227/4885GGPS1 647/4885

“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.