SCHEMBL4968655

SCHEMBL4968655

COC(=O)CN1C(=O)C(C(C)C)Oc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
TSHR P16473 4/20 0.51
PKM P14618 2/20 0.50
LMNA P02545 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAPK1 P28482 1/20 0.46
KDM4C Q9H3R0 1/20 0.45

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
SCHEMBL4970321 0.88 MEN1 (0.50) MEN1KMT2ATSHRPKMLMNA
SCHEMBL4969562 0.86 TSHR (0.45) MEN1KMT2ATSHRPKMLMNA
SCHEMBL4970645 0.85 MEN1 (0.57) MEN1KMT2ATSHRPKMLMNA
SCHEMBL4970662 0.82 MEN1 (0.41) MEN1KMT2ATSHRPKMLMNA
SCHEMBL10358621 0.82 MEN1 (0.41) MEN1KMT2ATSHRPKMLMNA
SCHEMBL4972633 0.78 MME (0.53) MEN1KMT2ATSHRPKMLMNA
SCHEMBL4908073 0.77 TSHR (0.51) TSHRLMNAALDH1A1SMN1; SMN2NPC1
SCHEMBL5242531 0.75 MME (0.47) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5242540 0.75 MME (0.47) TSHRALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4968334 0.74 KDM4C (0.54) 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 5 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
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 EP 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.