SCHEMBL12718933

SCHEMBL12718933

C=CCOc1ccc(CCc2ccc(-c3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAOB P27338 2/20 0.34
▸ CASR P41180 1/20 0.34
▸ MGAM O43451 3/20 0.33
▸ GAA P10253 3/20 0.33
▸ SI P14410 3/20 0.33
▸ MGAM2 Q2M2H8 3/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ ALDH2 P05091 1/20 0.33
▸ MAOA P21397 1/20 0.33
▸ ADRB3 P13945 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ S1PR1 P21453 2/20 0.33
▸ S1PR3 Q99500 2/20 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
SCHEMBL12821271 0.95 APP (0.35) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL12823738 0.90 CASR (0.36) MAOBCASRALDH2MAOAADRB3
SCHEMBL12719179 0.89 CYP2D6 (0.39) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL10303038 0.88 LMNA (0.34) MEN1KMT2ALMNACYP2D6MGAM
SCHEMBL12822519 0.87 PTGS2 (0.40) KMT2AADRB3APPCYP2C19S1PR1
SCHEMBL12740184 0.86 FFAR1 (0.41) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL12821275 0.85 S1PR1 (0.37) CASRADRB3APPCYP2C19S1PR1
SCHEMBL14766658 0.85 MAOB (0.39) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL12823432 0.85 CYP2D6 (0.38) MEN1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL12823290 0.85 FFAR1 (0.37) MEN1KMT2ALMNAMAPTSMN1; SMN2

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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 — — US disclosed
EP-2305627-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-04-06 — — EP disclosed
WO-2009150966-A1 TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2009-12-17 — — WO 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 MEN1 2496/4885KMT2A 1271/4885LMNA 530/4885

“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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