SCHEMBL18509967

SCHEMBL18509967

C=Cc1ccc(-c2ccc(-c3ccc(OCC)c(F)c3F)cc2F)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR2 P21802 2/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ TUBB1 Q9H4B7 1/20 0.38
▸ GABRA1 P14867 2/20 0.37
▸ GABRB2 P47870 2/20 0.37
▸ PKM P14618 1/20 0.36
▸ NAAA Q02083 1/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PTGS2 P35354 6/20 0.33
▸ PTGS1 P23219 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 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
SCHEMBL13264329 0.92 TUBB1 (0.40) FGFR2FGFR1TUBB1GABRA1GABRB2
SCHEMBL18509966 0.86 PTGS2 (0.40) TUBB1ALOX5APFEN1PTGS2PTGS1
SCHEMBL12739567 0.85 TUBB1 (0.50) FGFR2FGFR1TUBB1KDM4EKMT2A
SCHEMBL12736528 0.85 TACR2 (0.40) TUBB1GABRA1GABRB2PKMNAAA
SCHEMBL12740940 0.84 TACR2 (0.42) FGFR2FGFR1GABRA1GABRB2PKM
SCHEMBL12736487 0.84 TACR2 (0.42) FGFR2FGFR1GABRA1GABRB2PKM
SCHEMBL20739050 0.84 FGFR2 (0.43) FGFR2FGFR1TUBB1GABRA1GABRB2
SCHEMBL22277696 0.84 GABRA1 (0.39) FGFR2FGFR1TUBB1GABRA1GABRB2
SCHEMBL12717609 0.84 FFAR1 (0.39) PKMKDM4EGAAPTGS2ALDH1A1
SCHEMBL21609904 0.83 FGFR2 (0.44) FGFR2FGFR1PTPRCALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10400169-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2019-09-03 — — US disclosed
US-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-02-01 — — US disclosed
US-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2017-02-16 — — 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 (3 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-20170044438-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 FGFR2 386/4885FGFR1 70/4885TUBB1 918/4885
US-20180030350-A1 LIQUID-CRYSTALLINE MEDIUM VIM, COL2A1, COL1A1 FGFR2 386/4885FGFR1 70/4885TUBB1 918/4885
US-10400169-B2 Liquid-crystalline medium VIM, COL2A1, COL1A1 FGFR2 386/4885FGFR1 70/4885TUBB1 918/4885

“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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