SCHEMBL3439550

SCHEMBL3439550

CCCCc1ccc(-c2cc(F)c(-c3cc(F)cc(F)c3)c(Cl)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.39
▸ AKR1C2 P52895 1/20 0.35
▸ AKR1C1 Q04828 1/20 0.35
▸ CNR2 P34972 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARG P13631 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SKP2 Q13309 1/20 0.33
▸ APP P05067 2/20 0.32
▸ S1PR1 P21453 2/20 0.31
▸ S1PR3 Q99500 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31
▸ GPR3 P46089 1/20 0.31
▸ PTGES O14684 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
SCHEMBL12198992 0.91 RARB (0.43) RARBRARARARGMAPTSKP2
SCHEMBL12198994 0.87 RARB (0.48) RARBRARARARGSKP2S1PR1
SCHEMBL3439549 0.86 RARB (0.37) RARBAKR1C2AKR1C1CNR2RARA
SCHEMBL3439545 0.85 RARB (0.43) RARBAKR1C2AKR1C1CNR2RARA
SCHEMBL12198996 0.82 RARB (0.53) RARBRARARARGGPR3
SCHEMBL3439544 0.81 RARB (0.41) RARBAKR1C2AKR1C1RARARARG
SCHEMBL12622909 0.80 RARB (0.52) RARBRARARARGMAPT
SCHEMBL3439527 0.79 RARB (0.32) RARBAKR1C2AKR1C1CNR2S1PR1
SCHEMBL3439561 0.79 RARB (0.32) RARBS1PR1S1PR3
SCHEMBL13002284 0.79 RARB (0.40) RARBAKR1C2AKR1C1RARARARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8974694-B2 Liquid-crystal composition JNC CORPORATION (JP) 2015-03-10 — — US disclosed
US-8974694-B2 Liquid-crystal composition JNC CORPORATION (JP) 2015-03-10 — — US disclosed
US-20130188107-A1 LIQUID-CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2013-07-25 — — US disclosed
US-20130188107-A1 LIQUID-CRYSTAL COMPOSITION JNC PETROCHEMICAL CORPORATION (JP) 2013-07-25 — — US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 — — US disclosed
US-8409673-B2 Chlorobenzene derivative, optically isotropic liquid crystal medium, and optical device JNC CORPORATION (JP) 2013-04-02 — — US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 — — US disclosed
US-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-04-26 — — 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-20120099039-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL DEVICE CRYAB, CYBA, CCNB1 RARB 153/4885AKR1C2 1926/4885AKR1C1 2070/4885

“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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