SCHEMBL507787

SCHEMBL507787

CCCCCCCCC(C)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ESR1 P03372 1/20 0.39
CSNK1E P49674 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.37
CYSLTR2 Q9NS75 1/20 0.37
CYSLTR1 Q9Y271 1/20 0.37
P2RX7 Q99572 1/20 0.36
SOAT1 P35610 1/20 0.36
PPARG P37231 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL6679848 1.00 MEN1 (0.40) MEN1KMT2ANPSR1ESR1CSNK1E
SCHEMBL3083071 1.00 MEN1 (0.40) MEN1KMT2ANPSR1ESR1CSNK1E
SCHEMBL6683689 0.98 ESR1 (0.41) MEN1KMT2ANPSR1ESR1CSNK1E
Hydrogen Peroxide SCHEMBL9456481 0.96 CSNK1E (0.43) MEN1KMT2ANPSR1CSNK1EALDH1A1
SCHEMBL6683709 0.92 ESR1 (0.42) MEN1KMT2ANPSR1ESR1TSHR
SCHEMBL6684349 0.88 CSNK1E (0.42) MEN1KMT2ANPSR1CSNK1EALDH1A1
SCHEMBL6678854 0.86 TSHR (0.43) MEN1KMT2ANPSR1CSNK1EALDH1A1
SCHEMBL11800593 0.84 ESR1 (0.45) ESR1TSHRP2RX7GPR84
SCHEMBL6681407 0.83 SOAT1 (0.44) CSNK1EALDH1A1SOAT1
SCHEMBL7648740 0.83 CYSLTR2 (0.48) MEN1KMT2ANPSR1ESR1CSNK1E

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-2883856-A1 A method of deoxygenation of fatty acids for preparation of hydrocarbons Battelle Memorial Institute (US) 2015-06-17 EP disclosed
US-8882990-B2 Deoxygenation of fatty acids for preparation of hydrocarbons BATTELLE MEMORIAL INSTITUTE (US) 2014-11-11 US disclosed
EP-2601156-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS Battelle Memorial Institute (US) 2013-06-12 EP disclosed
US-8388829-B2 Deoxygenation of fatty acids for preparation of hydrocarbons BATTELLE MEMORIAL INSTITUTE (US) 2013-03-05 US disclosed
US-8366907-B2 Deoxygenation of fatty acids for preparation of hydrocarbons BATTELLE MEMORIAL INSTITUTE (US) 2013-02-05 US disclosed
US-20130018213-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS BATTELLE MEMORIAL INSTITUTE 2013-01-17 US disclosed
US-20130008080-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS BATTELLE MEMORIAL INSTITUTE 2013-01-10 US disclosed
WO-2012018739-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS BATTELLE MEMORIAL INSTITUTE (US) 2012-02-09 WO disclosed
US-20120029250-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS BATTELLE MEMORIAL INSTITUTE 2012-02-02 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 (2 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-20130018213-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS ELOVL3, FASN, ELOVL5 MEN1 4180/4885KMT2A 2098/4885NPSR1 3593/4885
US-20120029250-A1 DEOXYGENATION OF FATTY ACIDS FOR PREPARATION OF HYDROCARBONS ELOVL3, FASN, ELOVL5 MEN1 4180/4885KMT2A 2098/4885NPSR1 3593/4885

“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.