SCHEMBL4968534

SCHEMBL4968534

COC(=O)CCN1C(=O)C(C(C)C)Oc2c(C3CCCCC3)cccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD2 P14416 6/20 0.36
HTR2A P28223 6/20 0.36
DRD3 P35462 6/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4C Q9H3R0 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
OPRL1 P41146 4/20 0.34
OPRM1 P35372 1/20 0.34
OPRK1 P41145 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
SCHEMBL4971329 0.89 MME (0.37) MEN1KMT2ADRD2HTR2ADRD3
SCHEMBL4968981 0.83 ALDH1A1 (0.39) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL4969728 0.83 KMT2A (0.39) MEN1KMT2ATSHRLMNAPKM
SCHEMBL4970042 0.82 KMT2A (0.38) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL4970216 0.82 ALDH1A1 (0.40) MEN1KMT2ADRD2HTR2ADRD3
SCHEMBL4973945 0.82 RAB9A (0.40) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL4969574 0.80 ALDH1A1 (0.36) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL4969112 0.78 MME (0.38) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL4969242 0.78 KDM4E (0.43) MEN1KMT2ATSHRALDH1A1KDM4E
SCHEMBL4970321 0.78 MEN1 (0.50) MEN1KMT2ATSHRLMNAPKM

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 MEN1 4288/4885KMT2A 1121/4885DRD2 4662/4885

“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.