SCHEMBL4779552

SCHEMBL4779552

CCCCCCCCOc1c(F)c(F)cc(F)c1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.41
THRB P10828 5/20 0.41
NR5A1 Q13285 1/20 0.40
TSHR P16473 2/20 0.40
PLA2G2A P14555 1/20 0.40
ESR1 P03372 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
TLR4 O00206 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL1582596 1.00 THRA (0.41) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL1582622 1.00 THRA (0.41) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL12256272 1.00 THRA (0.41) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL1582904 1.00 THRA (0.41) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL12256271 1.00 THRA (0.41) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL1583196 1.00 THRA (0.41) THRATHRBNR5A1TSHRPLA2G2A
Cyanide SCHEMBL28063164 0.92 PLA2G2A (0.38) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL1582737 0.92 ALDH1A1 (0.40) THRATHRBNR5A1ESR1
SCHEMBL9684782 0.85 NR5A1 (0.44) THRATHRBNR5A1TSHRPLA2G2A
SCHEMBL9685171 0.85 NR5A1 (0.44) THRATHRBNR5A1TSHRPLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9059410-B2 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-06-16 US disclosed
US-9059410-B2 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2015-06-16 US disclosed
US-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-03-06 US disclosed
US-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-03-06 US disclosed
EP-1894984-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same National Institute of Advanced Industrial Science and Technology (JP) 2008-03-05 EP 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-20080058544-A1 Liquid crystalline organic semiconductor material and organic semiconductor device using same SLCO4C1, SLCO2A1, SLCO1A2 THRA 4509/4885THRB 4729/4885NR5A1 2762/4885

“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.