SCHEMBL20408353

SCHEMBL20408353

CCc1cc(/C=C/C(=O)OC)nn1C1CCCCO1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ NR1H4 Q96RI1 5/20 0.33
▸ CYP4F2 P78329 2/20 0.33
▸ CYP4A11 Q02928 2/20 0.33
▸ MGLL Q99685 1/20 0.33
▸ POLQ O75417 1/20 0.32
▸ KDM4E B2RXH2 6/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ L3MBTL1 Q9Y468 3/20 0.31
▸ ATM Q13315 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ CDK5 Q00535 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
SCHEMBL20389671 0.91 RXRA (0.35) RXRARXRBRXRGNR1H4CYP4F2
SCHEMBL20408471 0.85 RXRA (0.32) RXRARXRBRXRGNR1H4CYP4F2
SCHEMBL20389668 0.77 MGLL (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20516929 0.76 CD274 (0.41) RXRARXRBRXRGNR1H4CYP4F2
SCHEMBL20408357 0.75 CYP4F2 (0.35) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL3903187 0.75 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL24103620 0.73 GAA (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31539678 0.73 RXRA (0.40) RXRARXRBRXRGNR1H4CYP4F2
SCHEMBL31539801 0.72 YTHDC1 (0.33) RXRARXRBRXRGNR1H4CYP4F2
SCHEMBL26243837 0.72 CYP4F2 (0.34) RXRARXRBRXRGNR1H4CYP4F2

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-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF NATIONAL HEALTH RES INST (TW) 2018-07-26 — — 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-20180208588-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF CXCL12, HPGDS, CX3CR1 RXRA 627/4885RXRB 485/4885RXRG 197/4885

“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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