SCHEMBL881060

SCHEMBL881060

CCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc4ccccc4c3-c3c(OC(=O)c4ccc(-c5ccc(OCCCCCC)cc5)cc4)ccc4ccccc34)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 3/20 0.55
▸ NPC1 O15118 3/20 0.51
▸ LMNA P02545 3/20 0.51
▸ NFKB1 P19838 3/20 0.51
▸ NFKB2 Q00653 3/20 0.51
▸ RELA Q04206 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PLA2G4B P0C869 1/20 0.48
▸ POLB P06746 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ KMT2A Q03164 1/20 0.46

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
SCHEMBL881059 0.99 RARB (0.53) RARBNPC1LMNANFKB1NFKB2
SCHEMBL13452752 0.94 LMNA (0.58) NPC1LMNANFKB1NFKB2RELA
SCHEMBL31404682 0.94 RARB (0.49) RARBNPC1LMNANFKB1NFKB2
SCHEMBL31404692 0.91 RARB (0.46) RARBNPC1LMNANFKB1NFKB2
SCHEMBL31404691 0.89 RARB (0.47) RARBNPC1LMNANFKB1NFKB2
SCHEMBL28889587 0.87 PTPN11 (0.48) RARBTP53TSHRPLA2G4BCNR1
SCHEMBL880987 0.86 RARB (0.51) RARBSMN1; SMN2MAPTCNR2KMT2A
SCHEMBL13452757 0.86 RARB (0.51) RARBSMN1; SMN2MAPTCNR2KMT2A
SCHEMBL9154192 0.86 NPC1 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL14302347 0.84 KMT2A (0.43) NPC1LMNANFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2433923-A1 CHLOROBENZENE DERIVATIVE, OPTICALLY ISOTROPIC LIQUID CRYSTAL MEDIUM, AND OPTICAL ELEMENT JNC Corporation (JP) 2012-03-28 — — EP 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 153/4885NPC1 1996/4885LMNA 3487/4885

“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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