SCHEMBL12031981

SCHEMBL12031981

CCCC1CCC(C(=O)Oc2ccc(OCC)c(F)c2F)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.36
GLA P06280 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM1A O60341 2/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 1/20 0.33
DRD2 P14416 1/20 0.33
RECQL P46063 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7907302 0.92 HPGD (0.44) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL7907306 0.92 HPGD (0.44) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL12032390 0.91 HPGD (0.40) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL12032165 0.91 HPGD (0.40) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL7910505 0.89 HPGD (0.42) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL7910499 0.89 HPGD (0.42) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL7910502 0.89 HPGD (0.42) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL12032198 0.89 HPGD (0.37) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL12730609 0.88 HPGD (0.41) HPGDSMN1; SMN2GLAGAAMAPT
SCHEMBL9406597 0.87 CYP2C9 (0.40) HPGDSMN1; SMN2GAAMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-8999197-B2 Compound having a five-membered ring, the liquid crystal composition and the liquid crystal display device JNC CORPORATION (JP) 2015-04-07 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20140054499-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-02-27 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 US disclosed
US-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2011-12-22 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-20110309300-A1 COMPOUND HAVING A FIVE-MEMBERED RING, THE LIQUID CRYSTAL COMPOSITION AND THE LIQUID CRYSTAL DISPLAY DEVICE CTNND1, HCN1, CTNNA1 HPGD 4680/4885SMN1; SMN2 4054/4885GLA 1352/4885

“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.