SCHEMBL4969728

SCHEMBL4969728

COC(=O)CCN1C(=O)C(C(C)C)Oc2c(C)cccc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
CASP3 P42574 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 3/20 0.36
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
XIAP P98170 1/20 0.34

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
SCHEMBL4968981 0.89 ALDH1A1 (0.39) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4973945 0.88 RAB9A (0.40) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL4970042 0.88 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4970216 0.88 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4972106 0.87 MME (0.40) KMT2AMEN1RAB9AALDH1A1MAPK1
SCHEMBL4969574 0.86 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4973363 0.85 RAB9A (0.39) KMT2AMEN1RAB9AALDH1A1KDM4E
SCHEMBL4971988 0.84 KDM4C (0.41) KMT2AMEN1ALDH1A1KDM4EKDM4C
SCHEMBL4968506 0.84 KDM4C (0.41) KMT2AMEN1ALDH1A1KDM4EKDM4C
SCHEMBL4968509 0.84 KDM4C (0.41) KMT2AMEN1ALDH1A1KDM4EKDM4C

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-1985297-A1 CARBOXYLIC ACID COMPOUND AND USE THEREOF Japan Tobacco, Inc. (JP) 2008-10-29 EP disclosed
US-20070197512-A1 Carboxylic Acid Compounds and Use Thereof JAPAN TOBACCO INC. (JP) 2007-08-23 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-20070197512-A1 Carboxylic Acid Compounds and Use Thereof GLS, SLC10A1, SOAT1 KMT2A 1121/4885MEN1 4288/4885RAB9A 3322/4885

“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.