SCHEMBL12823907

SCHEMBL12823907

C=CCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(C(O)CCC)cc4)c(F)c3F)cc2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
MCL1 Q07820 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
LSS P48449 3/20 0.33
PTPN11 Q06124 2/20 0.33
CASR P41180 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRBN Q96SW2 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
SCHEMBL12719819 0.96 RARA (0.37) RARARARBMCL1ADRB1ADRB3
SCHEMBL12822657 0.95 APP (0.34) RARARARBMCL1ADRB1ADRB3
SCHEMBL12822977 0.91 FFAR1 (0.36) RARARARBMCL1ADRB1ADRB3
SCHEMBL12823909 0.89 CASR (0.37) RARARARBMCL1LSSCASR
SCHEMBL14767281 0.88 RARA (0.46) RARARARBMCL1LSSPTPN11
SCHEMBL12823898 0.88 ADRB1 (0.34) ADRB1ADRB3CASRMEN1KMT2A
SCHEMBL12821512 0.88 ADRB1 (0.34) ADRB1ADRB3CASRMEN1KMT2A
SCHEMBL12822310 0.88 ADRB3 (0.37) RARARARBADRB1ADRB3FFAR1
SCHEMBL12823727 0.86 FAAH (0.36) MCL1ADRB1ADRB3PTPN11CASR
SCHEMBL14767306 0.86 FFAR4 (0.46) RARARARBMCL1LSSFFAR1

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 2 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
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 RARA 2089/4885RARB 2705/4885MCL1 2702/4885

“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.