SCHEMBL20176296

SCHEMBL20176296

Cc1ccc2c(c1)c(F)nn2C1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
GAA P10253 2/20 0.36
RET P07949 2/20 0.35
ATR Q13535 1/20 0.35
KDM4E B2RXH2 7/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
DGAT2 Q96PD7 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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
SCHEMBL21198696 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30084695 0.85 CYP4F2 (0.44) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18295841 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20163477 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30950223 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL16125888 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL767404 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL15744178 0.85 CYP4F2 (0.39) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL25475385 0.84 CYP4F2 (0.37) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL10231506 0.84 RXRA (0.41) CYP4F2CYP4A11RXRARXRBRXRG

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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 CYP4F2 3533/4885CYP4A11 2858/4885RXRA 544/4885

“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.