SCHEMBL12822902

SCHEMBL12822902

CCc1ccc(-c2ccc(OCc3ccc(-c4ccc(C5CO5)c(F)c4F)cc3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 4/20 0.35
▸ ALOX5AP P20292 3/20 0.35
▸ FFAR4 Q5NUL3 3/20 0.34
▸ FPR2 P25090 1/20 0.32
▸ KDM1A O60341 4/20 0.32
▸ HTR1A P08908 3/20 0.32
▸ SLC6A2 P23975 3/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ SLC6A3 Q01959 3/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 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
SCHEMBL12823856 1.00 FEN1 (0.35) FEN1ALOX5APFFAR4FPR2KDM1A
SCHEMBL12994783 0.92 FFAR4 (0.35) FEN1ALOX5APFFAR4FPR2KDM1A
SCHEMBL13586221 0.91 FFAR4 (0.38) FEN1ALOX5APFFAR4FPR2KDM1A
SCHEMBL12821314 0.91 FFAR4 (0.38) FEN1ALOX5APFFAR4FPR2KDM1A
SCHEMBL12908112 0.91 MRGPRX4 (0.40) FEN1ALOX5APFFAR4FPR2MRGPRX4
SCHEMBL13653995 0.90 S1PR5 (0.38) FEN1ALOX5APFFAR4KDM1AHTR1A
SCHEMBL13586315 0.89 SYK (0.39) HTR1ACHRM1
SCHEMBL12823910 0.89 SYK (0.39) HTR1ACHRM1
SCHEMBL12822782 0.86 ALOX5AP (0.32) FEN1ALOX5APFFAR4HTR1ASLC6A2
SCHEMBL12823291 0.86 ALOX5AP (0.32) FEN1ALOX5APFFAR4HTR1ASLC6A2

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 FEN1 3340/4885ALOX5AP 1673/4885FFAR4 546/4885

“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