SCHEMBL19419343

SCHEMBL19419343

CCC1Oc2cc(C(C)(C)C)ccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 12/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CREBBP Q92793 2/20 0.40
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GAA P10253 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ USP2 O75604 1/20 0.37
▸ PARP1 P09874 1/20 0.37

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
SCHEMBL17027134 0.87 BRD4 (0.43) BRD4ALDH1A1MEN1KMT2ACREBBP
SCHEMBL19423620 0.81 USP2 (0.51) BRD4MEN1KMT2ACREBBPGAA
SCHEMBL20169598 0.79 BRD4 (0.44) BRD4ALDH1A1MEN1KMT2ACREBBP
SCHEMBL24508983 0.79 BRD4 (0.44) BRD4ALDH1A1MEN1KMT2ACREBBP
SCHEMBL30336298 0.79 BRD4 (0.44) BRD4ALDH1A1MEN1KMT2ACREBBP
SCHEMBL19432962 0.77 TP53 (0.48) BRD4ALDH1A1MEN1KMT2ACREBBP
SCHEMBL17027157 0.77 BRD4 (0.54) BRD4ALDH1A1MEN1KMT2ACREBBP
SCHEMBL5518583 0.76 KMT2A (0.65) BRD4ALDH1A1MEN1KMT2AMAPK1
SCHEMBL3249363 0.75 PARP1 (0.62) ALDH1A1MEN1KMT2AMAPK1GAA
SCHEMBL19410329 0.75 BRD4 (0.43) BRD4ALDH1A1MEN1KMT2ACREBBP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283427-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — US disclosed
US-20170283427-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-10-05 — — 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-20170283427-A1 COMPOUNDS FOR THE INHIBITION OF CYCLOPHILINS AND USES THEREOF PPIG, PPIH, FKBP2 BRD4 3961/4885ALDH1A1 1226/4885MEN1 4111/4885

“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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