SCHEMBL20810200

SCHEMBL20810200

CC(C)(C)c1ccc(-c2cc(COC(=O)c3ccc(C(F)(F)F)nc3)on2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ P2RY14 Q15391 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP2C9 P11712 2/20 0.38
▸ TSPO P30536 1/20 0.38
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ ALKBH5 Q6P6C2 2/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GABRA5 P31644 1/20 0.36

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
SCHEMBL20810060 0.93 P2RY14 (0.46) PPARDMAPTP2RY14ALDH1A1CYP2C9
SCHEMBL20810198 0.90 MAPT (0.42) PPARDMAPTP2RY14ALDH1A1ALKBH5
SCHEMBL20810197 0.89 MAPT (0.41) PPARDMAPTALDH1A1ALKBH5MEN1
SCHEMBL20810056 0.89 NPC1 (0.46) MAPTALDH1A1NPC1RAB9AKMT2A
SCHEMBL20810053 0.88 SMN1; SMN2 (0.50) MAPTALDH1A1CYP2C9TDP1MEN1
SCHEMBL20810062 0.88 SMN1; SMN2 (0.47) MAPTALDH1A1CYP2C9STAT3MEN1
SCHEMBL20810199 0.88 MAPT (0.53) MAPTALDH1A1STAT3TDP1MEN1
SCHEMBL20810182 0.82 MAPT (0.45) MAPTP2RY14ALDH1A1
SCHEMBL20810027 0.82 MAPT (0.42) PPARDMAPTP2RY14ALDH1A1CYP2C9
SCHEMBL20810161 0.81 TDP1 (0.58) MAPTALDH1A1CYP2C9TDP1NPC1

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 PPARD 3049/4885MAPT 4604/4885P2RY14 3635/4885

“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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