SCHEMBL20810053

SCHEMBL20810053

COc1ccc(-c2cc(COC(=O)c3ccc(C(F)(F)F)nc3)on2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.43
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ RXFP1 Q9HBX9 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NAAA Q02083 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
SCHEMBL20810198 0.90 MAPT (0.42) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL20810054 0.90 TDP1 (0.49) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL20810197 0.89 MAPT (0.41) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL20810056 0.89 NPC1 (0.46) SMN1; SMN2MAPTNPC1RAB9AALDH1A1
SCHEMBL20810060 0.89 P2RY14 (0.46) MAPTTDP1ALDH1A1CYP2C9
SCHEMBL20810200 0.88 PPARD (0.41) MAPTNPC1RAB9ATDP1ALDH1A1
SCHEMBL20810062 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL20810199 0.88 MAPT (0.53) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL20810059 0.83 SMN1; SMN2 (0.42) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A
SCHEMBL20810137 0.82 SMN1; SMN2 (0.47) SMN1; SMN2MAPTL3MBTL1NPC1RAB9A

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 SMN1; SMN2 2249/4885MAPT 4604/4885L3MBTL1 1941/4885

“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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