SCHEMBL2996834

SCHEMBL2996834

CC(C)(C)C(c1ccc(OCc2ccccn2)cc1)c1ccc(-c2nnn(C(C(=O)O)C(C)(C)C)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS4 O75173 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ PARP10 Q53GL7 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ ALOX5AP P20292 2/20 0.42
▸ MAOB P27338 2/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK14 Q16539 4/20 0.39

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
SCHEMBL13248365 0.87 MEN1 (0.56) ADAMTS4NPC1RAB9APARP10SMN1; SMN2
SCHEMBL2245019 0.85 NPC1 (0.47) NPC1RAB9APARP10SMN1; SMN2MAOB
SCHEMBL2246846 0.84 NPC1 (0.53) ADAMTS4NPC1RAB9APARP10SMN1; SMN2
SCHEMBL13248366 0.83 NPSR1 (0.45) NPC1RAB9APARP10SMN1; SMN2KDM4E
SCHEMBL2251349 0.80 PARP10 (0.57) ADAMTS4PARP10SMN1; SMN2KDM4EALDH1A1
SCHEMBL13248369 0.78 KDM4C (0.47) ADAMTS4PARP10ALDH1A1HPGDALOX5AP
SCHEMBL2992851 0.78 PARP10 (0.57) ADAMTS4NPC1RAB9APARP10SMN1; SMN2
SCHEMBL2253252 0.77 PARP10 (0.74) ADAMTS4PARP10SMN1; SMN2KDM4EALDH1A1
SCHEMBL5660242 0.77 YAP1 (0.42) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL5660237 0.76 ALOX5 (0.36) ADAMTS4NPC1RAB9APARP10SMN1; SMN2

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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES MERCK SHARP & DOHME CORP. 2010-07-29 — — 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-20100190761-A1 DIPHENYL SUBSTITUTED ALKANES ALOX5, ALOX15, ALOX15B ADAMTS4 1336/4885NPC1 603/4885RAB9A 4316/4885

“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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