SCHEMBL105237

SCHEMBL105237

CC(=O)Nc1ccccc1OC(C)C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.55
HSD17B10 Q99714 1/20 0.54
LMNA P02545 4/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 1/20 0.52
ACHE P22303 1/20 0.51
BRPF1 P55201 1/20 0.51
MRGPRX1 Q96LB2 1/20 0.51
IRAK4 Q9NWZ3 1/20 0.50
RORC P51449 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL9284179 0.86 BRPF1 (0.49) BRD4HSD17B10LMNARAB9AALDH1A1
SCHEMBL5203410 0.86 IRAK4 (0.59) ALDH1A1ACHEMRGPRX1IRAK4SMN1; SMN2
SCHEMBL2088830 0.86 ALDH1A1 (0.51) LMNAALDH1A1HPGDACHEMRGPRX1
SCHEMBL2088832 0.86 ALDH1A1 (0.51) LMNAALDH1A1HPGDACHEBRPF1
SCHEMBL2093681 0.84 ALDH1A1 (0.54) HSD17B10LMNAALDH1A1HPGDACHE
SCHEMBL12845223 0.84 KMT2A (0.65) BRD4HSD17B10RAB9AALDH1A1HPGD
SCHEMBL31570128 0.83 TP53 (0.53) LMNARAB9AALDH1A1HPGDACHE
SCHEMBL9803560 0.83 HSD17B10 (0.56) BRD4HSD17B10LMNARAB9AALDH1A1
SCHEMBL6212500 0.82 BRD4 (0.49) BRD4HSD17B10LMNARAB9AALDH1A1
SCHEMBL11635133 0.82 BRD4 (0.49) BRD4HSD17B10LMNARAB9AALDH1A1

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
EP-3326715-A1 OXALIC ACID MONOAMIDE LIGAND, AND USES THEREOF IN COUPLING REACTION OF COPPER-CATALYZED ARYL HALOGEN SUBSTITUTE Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences (CN) 2018-05-30 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 BRD4 1152/4885HSD17B10 1704/4885LMNA 3669/4885

“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.