SCHEMBL4969050

SCHEMBL4969050

COC(=O)CCN1C(=O)C(C(C)C)Oc2ccc(C(C)(C)C)cc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.41
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TNF P01375 1/20 0.35

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
SCHEMBL4968565 0.91 KDM4C (0.41) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4968953 0.88 ALDH1A1 (0.47) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4968334 0.86 KDM4C (0.54) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4968554 0.85 TSHR (0.47) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4970321 0.83 MEN1 (0.50) KDM4CALDH1A1CYP3A4CYP2C19NPC1
SCHEMBL4970236 0.82 KMT2A (0.40) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4970329 0.80 KDM4C (0.45) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4969574 0.79 ALDH1A1 (0.36) ALDH1A1CYP3A4CYP2C19MEN1KMT2A
SCHEMBL4971621 0.79 KMO (0.42) KDM4CALDH1A1CYP3A4CYP2C19THRB
SCHEMBL4970171 0.79 TSHR (0.39) KDM4CALDH1A1CYP3A4CYP2C19MEN1

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 KDM4C 2123/4885ALDH1A1 142/4885CYP3A4 3089/4885

“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.