SCHEMBL13808391

SCHEMBL13808391

Oc1ccc(C(F)(F)Oc2ccc(F)cc2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.36
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ CASR P41180 1/20 0.31
▸ NPC1 O15118 3/20 0.31
▸ RAB9A P51151 3/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ HTT P42858 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 2/20 0.30
▸ HSD11B1 P28845 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ALOX12 P18054 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL13808392 0.79 GAA (0.33) GAA
SCHEMBL13808393 0.76 CYP1A2 (0.34) GAACASR
SCHEMBL13808401 0.73 L3MBTL1 (0.39) MEN1HTTKMT2AALDH1A1KDM4E
SCHEMBL10698981 0.71 KIF11 (0.41) ESR1ESR2MEN1KMT2A
SCHEMBL8827306 0.69 ACHE (0.38) TP53
SCHEMBL8827397 0.67 KIF11 (0.46) GAARAB9AKMT2AMAPT
SCHEMBL18887798 0.67 ACHE (0.34) —
SCHEMBL19477799 0.66 GAA (0.42) GAACASRNPC1RAB9AALDH1A1
SCHEMBL255560 0.66 GPR3 (0.52) GAACASRALDH1A1MAPTHSD11B1
SCHEMBL8827393 0.66 HCRTR1 (0.31) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544400-B2 Bimesogenic compounds and flexoelectric devices MERCK PATENT GMBH (DE) 2009-06-09 — — US disclosed
US-7544400-B2 Bimesogenic compounds and flexoelectric devices MERCK PATENT GMBH (DE) 2009-06-09 — — US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 — — US disclosed
US-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MERCK PATENT GMBH (DE) 2008-06-19 — — 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-20080142758-A1 Bimesogenic Compounds And Flexoelectric Devices MLX, FOXM1, SFXN1 GAA 4632/4885ESR1 1880/4885ESR2 2218/4885

“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.

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