SCHEMBL29699726

SCHEMBL29699726

CC(C)C(=O)Oc1cccc(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ELANE P08246 2/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
CYP3A4 P08684 1/20 0.44
LMNA P02545 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
NPSR1 Q6W5P4 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ACHE P22303 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL5199329 1.00 HPGD (0.49) HPGDELANEESR1ESR2MEN1
SCHEMBL1827702 0.88 HPGD (0.48) HPGDESR1ESR2MEN1KMT2A
SCHEMBL5504728 0.86 HPGD (0.47) HPGDESR1ESR2MEN1KMT2A
SCHEMBL10179758 0.84 ESR1 (0.49) HPGDESR1ESR2MEN1KMT2A
SCHEMBL27478666 0.83 HPGD (0.45) HPGDESR1ESR2MEN1KMT2A
SCHEMBL287805 0.83 CYP3A4 (0.63) HPGDESR1ESR2MEN1KMT2A
SCHEMBL15967521 0.83 HPGD (0.42) HPGDESR1ESR2MEN1KMT2A
SCHEMBL15993969 0.83 HPGD (0.42) HPGDESR1ESR2MEN1KMT2A
SCHEMBL15967520 0.83 HPGD (0.42) HPGDESR1ESR2MEN1KMT2A
SCHEMBL21635118 0.82 MEN1 (0.44) HPGDESR1ESR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230118795-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF SUZHOU ZELGEN BIOPHARMACEUTICALS CO., LTD. (CN) 2023-04-20 US disclosed
EP-4092026-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF Suzhou Zelgen Biopharmaceutical Co., Ltd. (CN) 2022-11-23 EP disclosed
WO-2022135591-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDONE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 苏州泽璟生物制药股份有限公司 2022-06-30 WO 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-20230118795-A1 ARYL OR HETEROARYL PYRIDONE OR PYRIMIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF KRAS, NRAS, HRAS HPGD 302/4885ELANE 4128/4885ESR1 2074/4885

“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.