SCHEMBL4970321

SCHEMBL4970321

COC(=O)CCN1C(=O)C(C(C)C)Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 3/20 0.49
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MME P08473 1/20 0.43
ACE P12821 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL4968655 0.88 MEN1 (0.57) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4968334 0.86 KDM4C (0.54) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4970329 0.86 KDM4C (0.45) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4972633 0.86 MME (0.53) MEN1KMT2ATSHRALDH1A1PKM
SCHEMBL4968554 0.85 TSHR (0.47) TSHRALDH1A1NPC1RAB9ALMNA
SCHEMBL4970171 0.85 TSHR (0.39) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4969728 0.84 KMT2A (0.39) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4968981 0.84 ALDH1A1 (0.39) MEN1KMT2ATSHRALDH1A1SMN1; SMN2
SCHEMBL4969050 0.83 KDM4C (0.41) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL4970216 0.83 ALDH1A1 (0.40) MEN1KMT2ATSHRALDH1A1SMN1; SMN2

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 1121/4885TSHR 4003/4885

“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.