SCHEMBL20810054

SCHEMBL20810054

COc1cccc(-c2cc(COC(=O)c3ccc(C(F)(F)F)nc3)on2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.49
▸ GPBAR1 Q8TDU6 4/20 0.48
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ THRB P10828 2/20 0.42
▸ HPGDS O60760 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL20810053 0.90 SMN1; SMN2 (0.50) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20810199 0.87 MAPT (0.53) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20810183 0.84 DGAT2 (0.50) GPBAR1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20810198 0.84 MAPT (0.42) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20810280 0.83 SMN1; SMN2 (0.47) TDP1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL20810197 0.83 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL20810134 0.83 MAPT (0.45) TDP1GPBAR1MAPTSMN1; SMN2NPC1
SCHEMBL20810060 0.82 P2RY14 (0.46) TDP1MAPTPPARD
SCHEMBL20810056 0.82 NPC1 (0.46) MAPTSMN1; SMN2NPC1RAB9ATHRB
SCHEMBL20810166 0.82 ALDH1A1 (0.53) TDP1MAPTSMN1; SMN2NPC1RAB9A

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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF XIAMEN INSTITUTE OF RARE EARTH MATERIALS (CN) 2019-03-14 — — 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-20190077777-A1 NICOTINIC ACID DERIVATIVES, THEIR PREPARATION AND THE USE THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, HCAR3, NAPRT TDP1 4152/4885GPBAR1 1524/4885MAPT 4604/4885

“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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