SCHEMBL5219102

SCHEMBL5219102

CCOC(=O)COCCCCBr

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TRPA1 O75762 1/20 0.48
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
CES2 O00748 2/20 0.41
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
FAAH O00519 1/20 0.36
KMT2A Q03164 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
TSHR P16473 1/20 0.35
NR1I2 O75469 1/20 0.35
PGR P06401 1/20 0.35
ADORA3 P0DMS8 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
SCHEMBL17286168 0.98 ALDH1A1 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL22906936 0.98 ALDH1A1 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL6137569 0.98 ALDH1A1 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL21901982 0.98 ALDH1A1 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL9773565 0.98 ALDH1A1 (0.47) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL16147050 0.94 ALDH1A1 (0.50) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL23720522 0.89 ALDH1A1 (0.45) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL21070768 0.88 CES2 (0.52) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL24882784 0.88 GAA (0.48) ALDH1A1TRPA1CYP1A2GAAMGAM
SCHEMBL21924471 0.86 ALDH1A1 (0.54) ALDH1A1TRPA1CYP1A2GAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed
EP-1408961-B1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS HOFFMANN LA ROCHE (CH) 2007-07-11 EP disclosed
EP-0946501-B1 PREVENTION OF LOSS AND RESTORATION OF BONE MASS BY CERTAIN PROSTAGLANDIN AGONISTS PFIZER (US) 2006-05-31 EP disclosed
US-6998423-B2 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC. (US) 2006-02-14 US disclosed
US-6849657-B2 2-pyrrolidone derivatives as prostanoid agonists SYNTEX (U.S.A.) LLC (US) 2005-02-01 US disclosed
US-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists PFIZER INC 2004-09-09 US disclosed
EP-1408961-A1 2 PYRROLIDONE DERIVATIVES AS PROSTANOID AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-04-21 EP disclosed
US-6649657-B2 Administering amide to treat osteoporosis PFIZER INC. 2003-11-18 US disclosed
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists CAMERON KIMBERLEY Q (US) 2003-06-05 US disclosed
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists ONO PHARMACEUTICAL CO., LTD. (JP) 2003-04-03 US disclosed
US-4092356-A 11,12-Secoprostaglandins MERCK & CO., INC. (US) 1978-05-30 US disclosed
US-4091107-A RENAL VASODILATORS, ANTICLOTTING AGENTS, GROWTH HORMONE RELEASE, REGULATORS OF IMMUNE RESPONSE MERCK & CO., INC. (US) 1978-05-23 US disclosed
US-4085125-A 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes MERCK & CO., INC. (US) 1978-04-18 US disclosed
US-4066692-A 11,12-SECOPROSTAGLANDINS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4066675-A PSORIASIS, THROMBOSIS MERCK & CO., INC. (US) 1978-01-03 US disclosed
US-4055597-A RENAL VASODILATORS MERCK & CO., INC. (US) 1977-10-25 US disclosed
US-4033996-A RENAL VASODILATORS, ANTITHROMBOSIS, GROWTH HORMONE RELEASING MERCK & CO., INC. (US) 1977-07-05 US disclosed
US-4018802-A SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY MERCK & CO., INC. (US) 1977-04-19 US disclosed
US-3989749-A RENAL VASODILATORS, ANTITHROMBUS MERCK & CO., INC. (US) 1976-11-02 US disclosed
US-3987091-A RENAL VASODILATORS MERCK & CO., INC. (US) 1976-10-19 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 (3 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-20040176461-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ALDH1A1 2216/4885TRPA1 3625/4885CYP1A2 2335/4885
US-20030105092-A1 Prevention of loss and restoration of bone mass by certain prostaglandin agonists HPGDS, PTGIR, PTGER1 ALDH1A1 2216/4885TRPA1 3625/4885CYP1A2 2335/4885
US-20030064964-A1 2-pyrrolidone derivatives as prostanoid agonists PTGER1, PTGER4, PTGIR ALDH1A1 1122/4885TRPA1 3511/4885CYP1A2 363/4885

“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.