SCHEMBL4221485

SCHEMBL4221485

COC(=O)C(CCc1ccccc1)C(=O)Cc1ccc(-c2cnc(N)nc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 3/20 0.41
ALDH1A1 P00352 1/20 0.41
HIF1A Q16665 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.39
MME P08473 1/20 0.39
RIOK2 Q9BVS4 1/20 0.38
MMP2 P08253 1/20 0.37
LTA4H P09960 1/20 0.37
F10 P00742 2/20 0.37
CNR2 P34972 1/20 0.37
F2 P00734 1/20 0.37
PRSS1 P07477 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
SCHEMBL4221489 0.78 KMT2A (0.52) MMP12NPC1LMNAF10F2
SCHEMBL7056381 0.74 TSHR (0.53) MMP12ALDH1A1NPC1CNR2
SCHEMBL7061349 0.73 SMN1; SMN2 (0.49) ALDH1A1CNR2PRSS1
SCHEMBL13752641 0.72 DPP4 (0.40) MMP12NPC1LMNAF10F2
SCHEMBL7058224 0.71 TSHR (0.51) ALDH1A1NPC1
SCHEMBL3622726 0.71 ALDH1A1 (0.43) ALDH1A1LMNALTA4H
SCHEMBL7055434 0.71 PRSS1 (0.48) ALDH1A1LMNAPRSS1
SCHEMBL27534106 0.70 TSHR (0.46) ALDH1A1LTA4HCNR2
Hydrochloric Acid SCHEMBL540416 0.70 ALDH1A1 (0.45) ALDH1A1LTA4H
Hydrochloric Acid SCHEMBL27850080 0.70 ALDH1A1 (0.45) ALDH1A1LTA4H

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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity BAYER PHARMACEUTICALS CORPORATION (US) 2009-08-27 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-20090215780-A1 Preparation and Use of Aryl Alkyl Acid Derivatives for the Treatment of Obesity FABP4, GPR119, LIPC MMP12 1318/4885ALDH1A1 199/4885HIF1A 601/4885

“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.