SCHEMBL7501112

SCHEMBL7501112

CCCCCC=CCCC=CCCC(=O)C(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 0.56
FAAH O00519 6/20 0.56
CES1 P23141 2/20 0.56
TERT O14746 3/20 0.53
PTPN1 P18031 3/20 0.53
PPARG P37231 3/20 0.53
PPARD Q03181 3/20 0.53
PPARA Q07869 3/20 0.53
MAPT P10636 3/20 0.53
BLM P54132 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
HSD17B10 Q99714 2/20 0.53
FABP4 P15090 2/20 0.53
KMT2A Q03164 2/20 0.53
GMNN O75496 1/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
CYP2C9 P11712 1/20 0.53

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
SCHEMBL7501106 1.00 TOP1 (0.56) TOP1FAAHCES1TERTPTPN1
SCHEMBL26054659 0.98 FAAH (0.58) TOP1FAAHCES1TERTPTPN1
SCHEMBL15821310 0.96 FAAH (0.61) TOP1FAAHCES1TERTPTPN1
SCHEMBL25835999 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1
SCHEMBL22525273 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1
SCHEMBL23772133 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1
SCHEMBL25836005 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1
SCHEMBL22525183 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1
SCHEMBL114309 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1
SCHEMBL25834781 0.89 FAAH (0.71) TOP1FAAHCES1TERTPTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611200-B2 (6R,10R)-6,10,14-trimetylpentadecan-2-one prepared from 6,10,14 trimetylpentadeca-5,9,13-trien-2-one or 6,10,14-trimetylpentadeca-5,9-dien-2-one DSM IP ASSETS B.V. (NL) 2017-04-04 US disclosed
US-9573872-B2 Using mixtures of E/Z isomers to obtain quantitatively specific products by combining asymmetric hydrogenation and isomerization DSM IP ASSETS B.V. (NL) 2017-02-21 US disclosed
US-20160185702-A1 USING MIXTURES OF E/Z ISOMERS TO OBTAIN QUANTITATIVELY SPECIFIC PRODUCTS BY COMBINING ASYMMETRIC HYDROGENATION AND ISOMERIZATION DSM IP ASSETS B.V. (NL) 2016-06-30 US disclosed
US-20150329456-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10,14 TRIMETYLPENTADECA-5,9,13-TRIEN-2-ONE OR 6,10,14-TRIMETYLPENTADECA-5,9-DIEN-2-ONE DSM IP ASSETS B.V. (NL) 2015-11-19 US disclosed
EP-1256560-A2 Process for the preparation of higher alpha,beta-unsaturated alcohols BASF AKTIENGESELLSCHAFT (DE) 2002-11-13 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 (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-20150329456-A1 (6R,10R)-6,10,14-TRIMETYLPENTADECAN-2-ONE PREPARED FROM 6,10,14 TRIMETYLPENTADECA-5,9,13-TRIEN-2-ONE OR 6,10,14-TRIMETYLPENTADECA-5,9-DIEN-2-ONE CYP3A5, ADRA1D, HTR5A TOP1 1273/4885FAAH 3262/4885CES1 626/4885
US-20160185702-A1 USING MIXTURES OF E/Z ISOMERS TO OBTAIN QUANTITATIVELY SPECIFIC PRODUCTS BY COMBINING ASYMMETRIC HYDROGENATION AND ISOMERIZATION EPHX2, ZDHHC2, GNE TOP1 2493/4885FAAH 368/4885CES1 530/4885

“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.