SCHEMBL8085697

SCHEMBL8085697

CCOC(=O)CC(=O)c1ccc(O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
ESR1 P03372 2/20 0.61
CA7 P43166 2/20 0.61
CA9 Q16790 2/20 0.61
CA14 Q9ULX7 2/20 0.61
ESR2 Q92731 1/20 0.61
HSD17B3 P37058 5/20 0.53
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GAA P10253 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50

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
SCHEMBL572 0.87 KMT2A (0.58) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL8585196 0.85 ALDH1A1 (0.53) CA12CA1CA2ESR1CA7
SCHEMBL11515591 0.85 TSHR (0.66) CA12CA1CA2ESR1CA7
SCHEMBL27978253 0.85 CA12 (0.49) CA12CA1CA2ESR1CA7
SCHEMBL23149729 0.84 PARP10 (0.53) CA12CA1CA2ESR1CA7
SCHEMBL13634 0.84 KMT2A (0.66) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL1374042 0.84 HSD17B3 (0.61) CA12CA1CA2ESR1CA7
SCHEMBL13516645 0.84 ALDH1A1 (0.55) CA12CA1CA2ESR1CA7
SCHEMBL8600414 0.84 LMNA (0.62) ALDH1A1KMT2AKDM4EMEN1MAPT
SCHEMBL314260 0.84 KMT2A (0.54) ALDH1A1KMT2AKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-55136251-A None JP disclosed
CN-108658991-B Preparation method and application of 3, 5-disubstituted methylpyrazolo [1,5-a ] pyrimidine-7-phenolate analogue and derivative 辽宁利锋科技开发有限公司 2023-12-15 CN disclosed
CN-109651325-B Synthetic method of naphtho [1,2,3-de ] benzopyran-2, 7-diketone compound 青岛理工大学 2022-04-08 CN disclosed
US-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS XU LIFENG (US) 2021-04-01 US disclosed
US-7364834-B2 Functional polymer ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-04-29 US disclosed
US-7364834-B2 Functional polymer ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-04-29 US disclosed
US-6140310-A ADMINISTERING AN EFFECTIVE AMOUNT OF PHOSPHORUS PRODRUG IN A MAMMAL FOR TREATING A VIRAL INFECTION DRUG INNOVATION & DESIGN, INC. (US) 2000-10-31 US disclosed
US-5789608-A LIPID SOLUBLE; DIFFUSE INTO CELLS AND TISSUE; VIRICIDES, ANTICANCER AGENTS DRUG INNOVATION AND DESIGN, INC. (US) 1998-08-04 US disclosed
US-5627165-A ANTIVIRAL AND ANTILEUKEMIA AGENTS DRUG INNOVATION & DESIGN, INC. (US) 1997-05-06 US disclosed
EP-0533833-B1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1995-12-20 EP disclosed
US-5274162-A Antineoplastic drugs with bipolar toxification/detoxification functionalities GLAZIER ARNOLD (US) 1993-12-28 US disclosed
EP-0533833-A1 PHOSPHOROUS PRODRUGS. GLAZIER ARNOLD (US) 1993-03-31 EP disclosed
WO-1991019721-A1 PHOSPHOROUS PRODUGS GLAZIER ARNOLD (US) 1991-12-26 WO disclosed
JP-S55136251-A NOVEL KETO ESTER COMPOUND ORIENTAL SHASHIN KOGYO KK 1980-10-23 JP disclosed
US-4176196-A Hypoglycemic arylcyclohexane acetic acids PFIZER INC. (US) 1979-11-27 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-20210094954-A1 PREPARATION METHODS AND APPLICATIONS OF 3,5-DISUBSTITUTED METHYLPYRAZOLO[1,5-A]PYRIMIDINE-7-HYDROXYLIC SALTS DHPS, NUDT1, DPYD CA12 3570/4885CA1 2461/4885CA2 693/4885

“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.