SCHEMBL17973970

SCHEMBL17973970

CC1(F)Oc2cc(O)cc(F)c2O1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ PTPN1 P18031 1/20 0.31
▸ TAAR1 Q96RJ0 1/20 0.31
▸ ESR1 P03372 1/20 0.30
▸ ESR2 Q92731 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
SCHEMBL17973952 0.71 MAPT (0.42) AKT1ALDH1A1ESR1ESR2
SCHEMBL17973969 0.68 CA12 (0.31) —
SCHEMBL26774944 0.68 ALDH1A1 (0.37) ALDH1A1ESR1ESR2
SCHEMBL4296355 0.66 AKT1 (0.47) AKT1ALDH1A1
SCHEMBL16127134 0.64 TSHR (0.37) —
SCHEMBL26767425 0.64 CNR2 (0.39) ALDH1A1ESR1ESR2
SCHEMBL22412614 0.63 AKT1 (0.58) AKT1
SCHEMBL10440177 0.63 PTGS2 (0.37) AKT1
SCHEMBL31085232 0.63 TSHR (0.46) —
SCHEMBL2868026 0.62 ESR1 (0.50) ALDH1A1TAAR1ESR1ESR2

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-20160222295-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME DAXIN MATERIALS CORPORATION (TW) 2016-08-04 — — 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-20160222295-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME ZYX, MLX, NPM1 AKT1 1142/4885ALDH1A1 3163/4885PTPN1 2291/4885

“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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