SCHEMBL9630686

SCHEMBL9630686

CCOC(=O)C(CC)(CC(=O)O)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
HSD17B10 Q99714 1/20 0.38
PKM P14618 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
THRB P10828 1/20 0.37
EGLN1 Q9GZT9 1/20 0.36
HTT P42858 1/20 0.36
HCAR2 Q8TDS4 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
SCHEMBL27614238 0.92 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL11432705 0.90 MEN1 (0.46) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL27918078 0.86 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL1728132 0.86 MEN1 (0.48) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL1406753 0.85 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAHSD17B10
SCHEMBL17652959 0.84 HMGCR (0.34) TSHRALDH1A1LMNAKDM4ECYP2C19
SCHEMBL1818399 0.84 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL1201910 0.81 MEN1 (0.43) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL1244565 0.79 MEN1 (0.54) MEN1KMT2ATSHRALDH1A1LMNA
SCHEMBL28283401 0.78 MEN1 (0.47) MEN1KMT2ATSHRALDH1A1LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030565-B1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS GRUENENTHAL GMBH (DE) 2017-07-19 EP disclosed
US-9688683-B2 Substituted condensed pyrimidine compounds Grünenthal GmbH (DE) 2017-06-27 US disclosed
US-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS Grünenthal GmbH (DE) 2016-06-02 US disclosed
EP-0299205-B1 SUSTAINED RELEASE MICROCAPSULES AND METHOD FOR THE PRODUCTION THEREOF TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM HIGHER EDUCATION (US) 1992-04-15 EP disclosed
EP-0299205-A1 Sustained release microcapsules and method for the production thereof TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM HIGHER EDUCATION (US) 1989-01-18 EP disclosed
US-4000327-A BERRY FRUIT FOODSTUFFS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US disclosed
US-3984579-A Novel flavoring compositions and products containing isomer mixtures containing high proportions of 2-methyl-cis-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-10-05 US disclosed
US-3931306-A Process for producing isomer mixtures containing high proportions of cis-2-methyl-3-pentenoic acid INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 US disclosed
US-3931293-A Processes for producing cis alkyl-2-methyl-3-pentenoates and isomer mixtures containing high proportions of cis alkyl-2-methyl-3-pentenoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-01-06 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-20160152624-A1 NOVEL SUBSTITUTED CONDENSED PYRIMIDINE COMPOUNDS PDE4A, PDE4B, TYMP MEN1 3884/4885KMT2A 3000/4885TSHR 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.