SCHEMBL7915503

SCHEMBL7915503

CCCCOc1cc(=O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PGAM1 P18669 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL25120828 0.92 GPR84 (0.44) PGAM1ALDH1A1MAPTLMNAMEN1
SCHEMBL13412631 0.76 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19PDE3BPDE3A
SCHEMBL9852469 0.75 HTR1B (0.44) ALDH1A1KDM4ELMNAGAAL3MBTL1
SCHEMBL30485171 0.72 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
Squaric Acid Dibutyl Ester SCHEMBL56180 0.72 CYP3A4 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL30485172 0.72 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL7755326 0.72 CYP1A2 (0.48) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL16005863 0.71 CYP1A2 (0.58) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL12434156 0.70 ESR1 (0.49) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL6901164 0.70 LMNA (0.40) CYP1A2CYP2C9CYP2C19PGAM1ALDH1A1

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
US-11998608-B2 Polysaccharide and methods THE SECRETARY OF STATE FOR ENVIRONMENT, FOOD AND RURAL AFFAIRS (GB) 2024-06-04 US disclosed
CN-110072872-B Vaccine for preventing infection caused by Brucella organisms 环境、食品及农村国务部 2024-01-16 CN disclosed
US-6211220-B1 ANTITUMOR AGENTS AND ANTICARCIINOGENIC AGENTS CELL PATHWAYS, INC. 2001-04-03 US disclosed
WO-1994029277-A1 AMILINO- OR PYRIDYLAMINO- CYCLOBUTENE- 1,2-DIONE DERIVATIVES AS cGMP PHOSPHODIESTERASE INHIBITORS SMITHKLINE BEECHAM PLC (GB) 1994-12-22 WO disclosed
US-4092146-A POSTEMERGENCE HERBICIDES, PLANT GROWTH INHIBITORS, DESSICANTS, ETHERS OF CYCLOBUTENEDIONE CIBA-GEIGY CORPORATION (US) 1978-05-30 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-11998608-B2 Polysaccharide and methods CAP1, C1S, DDOST CYP1A2 4673/4885CYP2C9 3985/4885CYP2C19 4164/4885

“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.