SCHEMBL13656361

SCHEMBL13656361

CCC(C)c1c(C)ccc(C)c1C=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
CASP1 P29466 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
LDHA P00338 1/20 0.31
ESR1 P03372 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
LDHB P07195 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
AR P10275 1/20 0.31

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
SCHEMBL310162 0.75 TSHR (0.42) ALBALDH1A1LMNACASP1NPSR1
SCHEMBL311660 0.75 TYR (0.38) ALBALDH1A1KDM4EMEN1POLB
SCHEMBL3420520 0.71 ALDH1A1 (0.43) ALDH1A1LMNANPSR1KDM4EMEN1
SCHEMBL21986180 0.69 TSHR (0.33) TSHR
SCHEMBL954358 0.68 TSHR (0.50) ALDH1A1LMNACA1CA2KDM4E
SCHEMBL10779462 0.68 TSHR (0.45) ALDH1A1MEN1USP2ESR1CYP1A2
SCHEMBL17160031 0.67 TSHR (0.32) ALDH1A1LMNACA1CA2CYP1A2
SCHEMBL955537 0.67 TSHR (0.44) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL29174139 0.67 TSHR (0.44) ALDH1A1MEN1USP2ESR1CYP1A2
SCHEMBL12641368 0.67 NOS2 (0.37) RAB9AKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS EVONIK DEGUSSA GMBH (DE) 2009-10-08 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-20090253907-A1 CYCLOPENTADIENYL, INDENYL OR FLUORENYL SUBSTITUTED PHOSPHINE COMPOUNDS AND THEIR USE IN CATALYTIC REACTIONS CPS1, CYCS, RRS1 ALB 2858/4885ALDH1A1 2983/4885LMNA 4746/4885

“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.