SCHEMBL2625197

SCHEMBL2625197

CC(C)C(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 2/20 0.61
▸ MCL1 Q07820 2/20 0.61
▸ PARP10 Q53GL7 1/20 0.58
▸ SRD5A2 P31213 4/20 0.56
▸ NPY5R Q15761 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ RAB9A P51151 2/20 0.50
▸ ERCC5 P28715 1/20 0.50
▸ FEN1 P39748 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ PTGS1 P23219 1/20 0.49
▸ MMP2 P08253 2/20 0.48
▸ MMP9 P14780 2/20 0.48
▸ MMP12 P39900 2/20 0.48

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
SCHEMBL1445917 0.92 HPGD (0.58) BCL2MCL1PARP10SRD5A2NPY5R
SCHEMBL6981600 0.85 PARP10 (0.55) BCL2MCL1PARP10SRD5A2NPY5R
SCHEMBL11433567 0.85 PARP10 (0.55) BCL2MCL1PARP10SRD5A2NPY5R
SCHEMBL11691009 0.85 PARP10 (0.55) BCL2MCL1PARP10SRD5A2NPY5R
SCHEMBL13203385 0.85 HPGD (0.73) BCL2MCL1PARP10ALDH1A1RAB9A
SCHEMBL13687470 0.85 PARP10 (0.58) BCL2MCL1PARP10ALDH1A1RAB9A
SCHEMBL22548771 0.85 PARP10 (0.61) PARP10ALDH1A1RAB9AMAPTHPGD
Hydrochloric Acid SCHEMBL9642871 0.84 PARP10 (0.58) BCL2MCL1PARP10SRD5A2NPY5R
SCHEMBL13689271 0.84 AKR1C3 (0.66) BCL2MCL1PARP10ALDH1A1RAB9A
SCHEMBL13687458 0.83 BCL2 (0.53) BCL2MCL1PARP10RAB9AMAPT

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4065503-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-12-27 — — US claimed
US-10947271-B2 Antibacterial agents THE UNIVERSITY OF QUEENSLAND (AU) 2021-03-16 — — US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 — — US disclosed
US-20170204138-A1 ANTIBACTERIAL AGENTS THE UNIVERSITY OF QUEENSLAND (AU) 2017-07-20 — — US disclosed
US-20120101025-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 — — US disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 — — US disclosed
US-20120101026-A1 Compounds For Enzyme Inhibition ONYX THERAPEUTICS, INC. (US) 2012-04-26 — — US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 — — US disclosed
US-8088741-B2 Compounds for enzyme inhibition ONYX THERAPEUTICS, INC. (US) 2012-01-03 — — US disclosed
US-20110201794-A1 Disaccharides for drug discovery ALCHEMIA LIMITED (AU) 2011-08-18 — — US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 — — US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 — — US disclosed
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents PROTEOLIX, INC. (US) 2008-04-17 — — US disclosed
US-7169760-B2 Peptides as NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2007-01-30 — — US disclosed
EP-1652833-A1 PROCESS FOR PRODUCING 4-HYDROXYDIPHENYL ETHER Sumitomo Chemical Company, Limited (JP) 2006-05-03 — — EP disclosed
US-4175138-A α-Alkyl-p-phenoxy benzyl alcohols, compositions and treating lipidemia SANDOZ, INC. (US) 1979-11-20 — — US disclosed
US-4137313-A ANTICOAGULANTS, ANTIPHLOGISTIC AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1979-01-30 — — US disclosed
US-4085149-A HYPOLIPIDEMIC SANDOZ, INC. (US) 1978-04-18 — — US disclosed
US-4065503-A HYPOLIPIDEMIC AGENTS SANDOZ, INC. (US) 1977-12-27 — — US disclosed
US-3962459-A Lipidemia treatment with p-phenoxy-alkylphenone compositions SANDOZ, INC. (US) 1976-06-08 — — 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 (6 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-20110201794-A1 Disaccharides for drug discovery UGCG, STT3A, DDOST BCL2 4702/4885MCL1 2128/4885PARP10 3302/4885
US-20170204138-A1 ANTIBACTERIAL AGENTS VNN1, ASNS, AAAS BCL2 2614/4885MCL1 1243/4885PARP10 3073/4885
US-20080090785-A1 Peptide-based compounds include at least three peptide units, an epoxide or aziridine, and functionalization at the N-terminus inhibit specific activities of N-terminal nucleophile (Ntn) hydrolases, e.g., the chymotrypsin-like activity of the 20S proteasome; antiproliferative and antiinflammatory agents ANPEP, DNPEP, CPN1 BCL2 1133/4885MCL1 1001/4885PARP10 2364/4885
US-20120101026-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 BCL2 1324/4885MCL1 975/4885PARP10 1747/4885
US-20120101025-A1 Compounds For Enzyme Inhibition ANPEP, DNPEP, CPN1 BCL2 1324/4885MCL1 975/4885PARP10 1747/4885
US-10947271-B2 Antibacterial agents VNN1, ASNS, AAAS BCL2 2614/4885MCL1 1243/4885PARP10 3073/4885

“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.

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