SCHEMBL10100243

SCHEMBL10100243

O=C(CCCCCc1ccccc1)CCC(=O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.62
RXFP1 Q9HBX9 1/20 0.62
ALOX5 P09917 4/20 0.56
HDAC1 Q13547 3/20 0.56
HDAC2 Q92769 3/20 0.56
CES1 P23141 4/20 0.54
FAAH O00519 3/20 0.54
HDAC3 O15379 2/20 0.52
HDAC4 P56524 2/20 0.52
HDAC7 Q8WUI4 2/20 0.52
HDAC10 Q969S8 2/20 0.52
HDAC11 Q96DB2 2/20 0.52
HDAC8 Q9BY41 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
HDAC9 Q9UKV0 2/20 0.52
HDAC5 Q9UQL6 2/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL8511630 0.89 MAPT (0.71) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11137519 0.89 MAPT (0.77) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL1508071 0.89 MAPT (0.77) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL28609434 0.89 MAPT (0.77) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL3270086 0.87 MAPT (0.68) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL4886613 0.87 MAPT (0.73) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL19625551 0.83 MAPT (0.68) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL11029505 0.82 MAPT (0.67) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL5247648 0.82 MAPT (0.71) MAPTRXFP1ALOX5HDAC1HDAC2
SCHEMBL9404065 0.82 MAPT (0.71) MAPTRXFP1ALOX5HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9827257-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-11-28 US disclosed
US-9750759-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2017-09-05 US disclosed
US-20150344454-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-20150342972-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2015-12-03 US disclosed
US-9187445-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2015-11-17 US disclosed
US-20120041063-A2 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2012-02-16 US disclosed
US-20110034549-A1 Antitumoral Compounds PHARMA MAR, S.A. (ES) 2011-02-10 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 (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-20150344454-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MAPT 4622/4885RXFP1 127/4885ALOX5 2781/4885
US-20120041063-A2 ANTITUMORAL COMPOUNDS TPD52L2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53 MAPT 4593/4885RXFP1 95/4885ALOX5 2912/4885
US-20150342972-A1 ANTITUMORAL COMPOUNDS TP53, CCNY, RB1 MAPT 4622/4885RXFP1 127/4885ALOX5 2781/4885
US-20110034549-A1 Antitumoral Compounds CCNY, RB1, TPD52L2 MAPT 4704/4885RXFP1 104/4885ALOX5 3087/4885

“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.