SCHEMBL17944301

SCHEMBL17944301

CCCNC(=O)c1ccc(-c2oc3cc4ccccc4cc3c(=O)c2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 12/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 5/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MAPT P10636 6/20 0.45
▸ TP53 P04637 4/20 0.44
▸ ACHE P22303 1/20 0.44
▸ BACE1 P56817 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ CYP3A4 P08684 6/20 0.44
▸ HSD17B10 Q99714 6/20 0.44
▸ CASP1 P29466 3/20 0.44
▸ CASP7 P55210 3/20 0.44
▸ HPGD P15428 3/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ RET P07949 1/20 0.44

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
SCHEMBL17944016 0.92 NAAA (0.49) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17943842 0.92 NAAA (0.49) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17949892 0.85 KDM4E (0.43) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17944014 0.85 KDM4E (0.42) KDM4EALDH1A1RAB9ANPC1MAPT
SCHEMBL17944013 0.82 MEN1 (0.42) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17943833 0.82 MEN1 (0.42) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17943841 0.82 KDM4E (0.52) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17940164 0.81 KDM4E (0.56) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17944028 0.78 TP53 (0.70) KDM4EALDH1A1MAPTTP53ACHE
SCHEMBL17940142 0.77 CYP3A4 (0.68) KDM4EALDH1A1MAPTTP53ACHE

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-9840488-B2 Carbon monoxide releasing molecules and associated methods UTAH STATE UNIVERSITY (US) 2017-12-12 — — US disclosed
US-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods UTAH STATE UNIVERSITY (US) 2016-07-28 — — 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-20160214955-A1 Carbon Monoxide Releasing Molecules and Associated Methods MB, CORO1C, CYCS KDM4E 1691/4885ALDH1A1 1503/4885GAA 3851/4885

“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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