SCHEMBL16178255

SCHEMBL16178255

CCC(CC)(C(N)=O)c1ccc(OCc2ccccc2)c(C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.54
MRGPRX4 Q96LA9 7/20 0.53
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
VDR P11473 2/20 0.44
FFAR1 O14842 3/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL2320679 0.90 FFAR4 (0.56) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL2325317 0.87 FFAR4 (0.54) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL2318476 0.86 FFAR4 (0.53) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL16184395 0.81 ESR1 (0.56) VDRHDAC6
SCHEMBL20059953 0.80 FFAR4 (0.53) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL4507201 0.80 VDR (0.60) FFAR4MRGPRX4VDRFFAR1HDAC6
SCHEMBL446924 0.79 RXRA (0.53) MRGPRX4RXRARXRBRXRGMAPT
SCHEMBL2950747 0.79 MRGPRX4 (0.55) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL20060032 0.77 FFAR4 (0.51) FFAR4MRGPRX4RXRARXRBRXRG
SCHEMBL17024331 0.77 MRGPRX4 (0.55) FFAR4MRGPRX4RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2794556-B1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER GLEASON JAMES L (CA) 2018-04-18 EP disclosed
US-9428447-B2 Bis-(aryl/heteroaryl)-methylene compounds, pharmaceutical compositions containing same and their use for treating cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-08-30 US disclosed
US-20140315965-A1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER KALDRE, Dainis (CA) 2014-10-23 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-20140315965-A1 BIS-(ARYL/HETEROARYL)-METHYLENE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND THEIR USE FOR TREATING CANCER VDR, CYP2R1, CYP24A1 FFAR4 321/4885MRGPRX4 801/4885RXRA 46/4885

“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.