SCHEMBL12003451

SCHEMBL12003451

CCCCC#CC(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
PDE2A O00408 2/20 0.36
CYP3A4 P08684 6/20 0.36
TSHR P16473 5/20 0.36
CYP2C19 P33261 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 4/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL2686608 0.79 ALDH1A1 (0.49) LMNAHTTTSHRALDH1A1
SCHEMBL11549791 0.79 ALOX5 (0.43) FFAR1
SCHEMBL12003427 0.77 CYP2C19 (0.41) FFAR1CYP3A4CYP2C19CYP1A2CYP2C9
SCHEMBL9243871 0.74 ALDH1A1 (0.47) SMN1; SMN2LMNAHTTTSHRALDH1A1
SCHEMBL28691397 0.74 HSD11B1 (0.46) SMN1; SMN2MEN1KMT2ALMNAHTT
SCHEMBL31682136 0.73 ALDH1A1 (0.46) LMNAHTTTSHRALDH1A1
SCHEMBL24081271 0.72 NPC1 (0.44) SMN1; SMN2LMNACYP3A4TSHRCYP2C19
SCHEMBL3940735 0.72 FFAR1 (0.43) FFAR1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL28924136 0.72 CES2 (0.44) FFAR1CES2CES1PDE2AHSD11B1
SCHEMBL1326187 0.72 ALOX5 (0.46) FFAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2599765-B1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN UNIV EAST CHINA NORMAL (CN) 2016-03-02 EP disclosed
EP-2599765-B1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN UNIV EAST CHINA NORMAL (CN) 2016-03-02 EP disclosed
US-8748669-B2 Process for producing aldehydes or ketones by oxidizing alcohols with oxygen EAST CHINA NORMAL UNIVERSITY (CN) 2014-06-10 US disclosed
US-8748669-B2 Process for producing aldehydes or ketones by oxidizing alcohols with oxygen EAST CHINA NORMAL UNIVERSITY (CN) 2014-06-10 US disclosed
US-8748669-B2 Process for producing aldehydes or ketones by oxidizing alcohols with oxygen EAST CHINA NORMAL UNIVERSITY (CN) 2014-06-10 US disclosed
EP-2599765-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN East China Normal University (CN) 2013-06-05 EP disclosed
EP-2599765-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN East China Normal University (CN) 2013-06-05 EP disclosed
US-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2012-08-30 US disclosed
US-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2012-08-30 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-20120220792-A1 PROCESS FOR PRODUCING ALDEHYDES OR KETONES BY OXIDIZING ALCOHOLS WITH OXYGEN ADH1C, NOX4, NOX1 FFAR1 2313/4885SMN1; SMN2 1287/4885MEN1 2506/4885

“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.