SCHEMBL23901498

SCHEMBL23901498

CC(C)(C)c1cc(CCCc2cc(C(C)(C)C)cc(-c3ccc(F)cc3F)n2)nc(-c2ccc(F)cc2F)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.39
▸ KMO O15229 2/20 0.36
▸ TGFBR1 P36897 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C8 P10632 1/20 0.35
▸ ALPL P05186 3/20 0.35
▸ F2RL3 Q96RI0 1/20 0.34
▸ GCGR P47871 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ MAPK14 Q16539 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MDM2 Q00987 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL23894229 0.97 ALOX5AP (0.39) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL23901502 0.77 GCGR (0.39) KMOALPLF2RL3GCGRNPC1
SCHEMBL29463696 0.73 ALOX5AP (0.49) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL1477167 0.73 ALOX5AP (0.49) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL20411757 0.72 ALPL (0.38) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL19612560 0.71 ALPL (0.40) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL20414969 0.70 ALPL (0.37) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL19064378 0.70 CYP1A2 (0.36) ALOX5APKMOTGFBR1CYP1A2CYP3A4
SCHEMBL2428527 0.69 ALOX5AP (0.43) ALOX5APKMONPC1RAB9ATP53
SCHEMBL12973746 0.67 NPC1 (0.47) ALOX5APNPC1RAB9AGRM5

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-20210313523-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-07 — — 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-20210313523-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LEF1, OCIAD1, CRY1 ALOX5AP 3536/4885KMO 689/4885TGFBR1 1773/4885

“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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