SCHEMBL10380004

SCHEMBL10380004

CCCCC(CC)CCC(=O)CC

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.66
ALDH1A1 P00352 4/20 0.50
CYP3A4 P08684 4/20 0.50
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CA1 P00915 4/20 0.41
RECQL P46063 1/20 0.38

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
SCHEMBL15731292 0.92 CA2 (0.56) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL10598855 0.91 CA2 (0.53) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL14125872 0.91 CA2 (0.70) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL20838318 0.87 CA2 (0.48) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL10892809 0.86 CA2 (0.63) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL14125668 0.86 CA2 (0.63) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL20838317 0.84 TDP1 (0.45) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL19085418 0.84 CA2 (0.61) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL29133311 0.84 CA2 (0.61) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL15731294 0.83 CA2 (0.60) CA2ALDH1A1CYP3A4TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618856-B2 Methods for producing cyclic and acyclic ketones THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-04-14 US disclosed
US-20190127292-A1 METHODS FOR PRODUCING CYCLIC AND ACYCLIC KETONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-05-02 US disclosed
US-10207961-B2 Methods for producing cyclic and acyclic ketones THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-02-19 US disclosed
US-20180170824-A1 METHODS FOR PRODUCING CYCLIC AND ACYCLIC KETONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-06-21 US disclosed
US-9790444-B2 Methods to produce fuels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
US-9790444-B2 Methods to produce fuels THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-10-17 US disclosed
EP-3122710-A2 METHODS FOR PRODUCING CYCLIC AND ACYCLIC KETONES The Regents of the University of California (US) 2017-02-01 EP disclosed
US-20160152907-A1 METHODS TO PRODUCE FUELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-02 US disclosed
US-20160152907-A1 METHODS TO PRODUCE FUELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-06-02 US disclosed
WO-2015148412-A2 METHODS FOR PRODUCING CYCLIC AND ACYCLIC KETONES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-10-01 WO disclosed
US-20140137465-A1 METHOD TO CONVERT FERMENTATION MIXTURE INTO FUELS BP CORPORATION NORTH AMERICA INC. (US) 2014-05-22 US disclosed
WO-2012096813-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-07-19 WO 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 (4 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-10618856-B2 Methods for producing cyclic and acyclic ketones PCCA, BCKDK, DECR2 CA2 3691/4885ALDH1A1 1262/4885CYP3A4 307/4885
US-20180170824-A1 METHODS FOR PRODUCING CYCLIC AND ACYCLIC KETONES PCCA, BCKDK, DECR2 CA2 3691/4885ALDH1A1 1262/4885CYP3A4 307/4885
US-10207961-B2 Methods for producing cyclic and acyclic ketones PCCA, BCKDK, DECR2 CA2 3691/4885ALDH1A1 1262/4885CYP3A4 307/4885
US-20190127292-A1 METHODS FOR PRODUCING CYCLIC AND ACYCLIC KETONES PCCA, BCKDK, DECR2 CA2 3691/4885ALDH1A1 1262/4885CYP3A4 307/4885

“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.