SCHEMBL20163367

SCHEMBL20163367

CCC#Cc1ccc2c(c1)c(F)nn2[C@@H]1CCCCO1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ ATR Q13535 10/20 0.33
▸ RORC P51449 2/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ RET P07949 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ PDPK1 O15530 2/20 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
SCHEMBL767386 1.00 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18261034 0.92 NPC1 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18260694 0.88 CYP4F2 (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL766825 0.88 GAA (0.36) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18261078 0.88 CYP4F2 (0.35) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL30259618 0.88 RORC (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18260817 0.88 RORC (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL767343 0.87 RXRA (0.34) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL20163366 0.87 GCK (0.33) CYP4F2CYP4A11RXRARXRBRXRG
SCHEMBL18260924 0.87 CYP4F2 (0.35) 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.

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