SCHEMBL12032175

SCHEMBL12032175

CCCC1CCC(C(=O)OC2CCC(c3ccc(OCC)c(F)c3F)CC2)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ NAAA Q02083 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ SSTR5 P35346 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ CHRM4 P08173 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
SCHEMBL22277456 0.91 SMN1; SMN2 (0.35) SMN1; SMN2DRD2CYP2C9MAPTALDH1A1
SCHEMBL14922394 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AMAPK1MAPT
SCHEMBL14922631 0.85 SMN1; SMN2 (0.40) SMN1; SMN2MEN1KMT2AMAPK1MAPT
SCHEMBL22277419 0.84 NAAA (0.35) SMN1; SMN2DRD2CYP2C9MEN1KMT2A
SCHEMBL12742043 0.84 HPGD (0.41) SMN1; SMN2DRD2CYP2C9MEN1KMT2A
SCHEMBL12737157 0.84 HPGD (0.41) SMN1; SMN2DRD2CYP2C9MEN1KMT2A
SCHEMBL14922583 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL14922599 0.84 SMN1; SMN2 (0.39) SMN1; SMN2MEN1KMT2AMAPTHPGD
SCHEMBL10091362 0.83 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AMAPK1MAPT
SCHEMBL9924851 0.82 SMN1; SMN2 (0.35) SMN1; SMN2DRD2FFAR4SSTR5

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 SMN1; SMN2 4054/4885DRD2 296/4885CYP2C9 2588/4885

“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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