SCHEMBL12717954

SCHEMBL12717954

C=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(C(C)O)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ ADRB2 P07550 4/20 0.35
▸ ADRB1 P08588 4/20 0.35
▸ ADRB3 P13945 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP2D6 P10635 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL12823264 1.00 KDM4E (0.38) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12717339 0.92 KDM4E (0.37) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12823996 0.90 ALDH1A1 (0.33) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL12822489 0.90 ALDH1A1 (0.33) KDM4EALDH1A1MEN1CYP3A4KMT2A
SCHEMBL12718003 0.90 APP (0.38) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12823728 0.87 ADRB2 (0.38) KDM4EADRB2ADRB1ADRB3ALDH1A1
SCHEMBL12823712 0.87 KDM4E (0.38) KDM4EADRB2ADRB1ADRB3CYP2D6
SCHEMBL12737497 0.87 KDM4E (0.39) KDM4ELMNACYP1A2GAATSHR
SCHEMBL12742688 0.87 KDM4E (0.39) KDM4ELMNACYP1A2GAATSHR
SCHEMBL12822874 0.85 KDM4E (0.38) KDM4EADRB2ADRB1ADRB3ALDH1A1

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 KDM4E 2690/4885ADRB2 526/4885ADRB1 906/4885

“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.

Send feedback