SCHEMBL6916176

SCHEMBL6916176

COC1CCCCCC1=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 3/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CA6 P23280 1/20 0.40
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MAOA P21397 6/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAOB P27338 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
SCHEMBL9874961 1.00 KMT2A (0.52) KMT2ACA1CA2CA4KDM4E
SCHEMBL6912662 0.98
SCHEMBL181970 0.98
SCHEMBL1568359 0.98
Hydrochloric Acid SCHEMBL8391553 0.93 CA1 (0.46) KMT2ACA1CA2CA4KDM4E
SCHEMBL25999 0.91
SCHEMBL8392181 0.90 CA1 (0.43) KMT2ACA1CA2CA4KDM4E
SCHEMBL8391562 0.90 CA1 (0.43) KMT2ACA1CA2CA4KDM4E
Butylamine SCHEMBL19732984 0.80 CA1 (0.36) KMT2ACA1CA2CA4KDM4E
SCHEMBL27038854 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-108239066-A The synthetic method of pharmaceutical intermediate 3- oxo cycloheptanone condensed ethandiols 成都卡迪夫科技有限公司 2018-07-03 CN disclosed
US-8962852-B2 Asymmetric hydrogenation method for ketone compound NIPPON CHEMICAL INDUSTRIES CO., LTD. (JP) 2015-02-24 US disclosed
US-20130053574-A1 ASYMMETRIC HYDROGENATION METHOD FOR KETONE COMPOUND NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 2013-02-28 US disclosed
US-6720439-B1 EFFICIENT REDUCTION OF BASE SENSITIVE CARBONYL COMPOUNDS; SEPARATING RACEMIC CARBONYL COMPOUNDS; CHIRAL CATALYSTS NAGOYA INDUSTRIAL SCIENCE RESEARCH INSTITUTE (JP) 2004-04-13 US disclosed
US-4647686-A Catalytic method of preparing keto-cyano alkane compounds ALLIED CORPORATION (US) 1987-03-03 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-20130053574-A1 ASYMMETRIC HYDROGENATION METHOD FOR KETONE COMPOUND HCN4, MAP2K5, HCN2 KMT2A 789/4885CA1 116/4885CA2 115/4885

“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.