SCHEMBL13863192

SCHEMBL13863192

CCCCCCCCCCOc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.57
NR5A1 Q13285 1/20 0.50
TP53 P04637 2/20 0.49
TSHR P16473 1/20 0.49
PLA2G4B P0C869 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
ESR1 P03372 1/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47

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
SCHEMBL14064708 1.00 LTA4H (0.57) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL13326468 1.00 LTA4H (0.57) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL14064709 1.00 LTA4H (0.57) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL13326469 1.00 LTA4H (0.57) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL13326467 0.98 LTA4H (0.58) LTA4HNR5A1TP53TSHRPLA2G4B
SCHEMBL2877833 0.95 LTA4H (0.56) LTA4HTSHRHTTSMN1; SMN2HIF1A
Fluoride SCHEMBL1149738 0.92 LTA4H (0.53) LTA4HTSHRHTTSMN1; SMN2HIF1A
Fluoride SCHEMBL1149737 0.92 LTA4H (0.53) LTA4HTSHRHTTSMN1; SMN2HIF1A
SCHEMBL7589130 0.86 LTA4H (0.46) LTA4HNPC1RAB9AALDH1A1HTT
SCHEMBL15121919 0.83 FFAR1 (0.57) LTA4HPLA2G4BNPC1RAB9ADRD2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124838-A1 LIQUID CRYSTALLINE STYRYL DERIVATIVE, PROCESS OF PREPARING SAME, AND LIQUID CRYSTAL SEMICONDUCTOR DEVICE USING SAME YAMANASHI UNIVERSITY (JP) 2009-05-14 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-20090124838-A1 LIQUID CRYSTALLINE STYRYL DERIVATIVE, PROCESS OF PREPARING SAME, AND LIQUID CRYSTAL SEMICONDUCTOR DEVICE USING SAME SCO2, SMYD2, SMYD3 LTA4H 2340/4885NR5A1 552/4885TP53 3445/4885

“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.