SCHEMBL2700864

SCHEMBL2700864

COC(=O)[C@]1(C)CC[C@@H](C(C)C)CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPT P10636 2/20 0.33
ROCK2 O75116 1/20 0.31
ROCK1 Q13464 1/20 0.31
GGPS1 O95749 1/20 0.31
FDPS P14324 1/20 0.31
OPRL1 P41146 1/20 0.31
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL2701515 1.00 FFAR3 (0.33) FFAR3NPSR1MAPTROCK2ROCK1
SCHEMBL1468235 1.00 FFAR3 (0.33) FFAR3NPSR1MAPTROCK2ROCK1
SCHEMBL20000455 0.85 FFAR3 (0.33) FFAR3NPSR1MAPTLMNA
SCHEMBL2702145 0.80 BRD4 (0.35) MAPTSMN1; SMN2
SCHEMBL1468125 0.80 BRD4 (0.35) MAPTSMN1; SMN2
SCHEMBL2700331 0.80 BRD4 (0.35) MAPTSMN1; SMN2
SCHEMBL8175853 0.78 FFAR3 (0.50) FFAR3NPSR1MAPTMEN1CYP3A4
SCHEMBL25616531 0.78 FFAR3 (0.50) FFAR3NPSR1MAPTMEN1CYP3A4
SCHEMBL283125 0.78
SCHEMBL25616533 0.78 FFAR3 (0.50) FFAR3NPSR1MAPTMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2450333-B1 METHOD FOR PRODUCING ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL CO (JP) 2017-07-26 EP disclosed
US-8816136-B2 Method for producing alicyclic alcohol MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-08-26 US disclosed
US-20120238784-A1 METHOD FOR PRODUCING ALICYCLIC ALCOHOL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-09-20 US disclosed
EP-2450333-A1 METHOD FOR PRODUCING ALICYCLIC ALCOHOL Mitsubishi Gas Chemical Company, Inc. (JP) 2012-05-09 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-20120238784-A1 METHOD FOR PRODUCING ALICYCLIC ALCOHOL ADH1C, ADH1A, ADH5 FFAR3 145/4885NPSR1 4523/4885MAPT 4532/4885

“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.