SCHEMBL5497718

SCHEMBL5497718

O=C(CCCC(=O)OCc1cccc2c1Cc1ccccc1-2)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
DRD2 P14416 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
EPHX2 P34913 2/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 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
SCHEMBL5497721 0.95 PNMT (0.48) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4059189 0.90 PNMT (0.54) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL27429983 0.90 PNMT (0.52) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL6849876 0.89 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL5499370 0.88 PNMT (0.42) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL8474155 0.87 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4839271 0.87 PNMT (0.51) PNMTNPC1RAB9AHTR7HTR2B
Methyl Alcohol SCHEMBL7565244 0.87 PNMT (0.41) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL1830397 0.87 PNMT (0.57) PNMTNPC1RAB9AHTR7HTR2B
SCHEMBL4059193 0.86 PNMT (0.50) PNMTNPC1RAB9AHTR7HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262169-B1 Process for preparing peptide intermediates MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20030133927-A1 Conjugates useful in the treatment of prostate cancer DEFEO-JONES DEBORAH (US) 2003-07-17 US disclosed
EP-1226158-B1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME (GB) 2003-07-02 EP disclosed
US-6552166-B1 Oligopeptide is mixed with a salt of the anthracycline antibiotic in the presence of a carboxyl activating agent and a base MERCK & CO., INC. 2003-04-22 US disclosed
EP-1228089-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER Merck & Co., Inc. (US) 2002-08-07 EP disclosed
EP-1225918-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER Merck & Co., Inc. (US) 2002-07-31 EP disclosed
EP-1226158-A1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME LTD. (GB) 2002-07-31 EP disclosed
US-20020042375-A1 Method of treating cancer HEIMBROOK DAVID C (US) 2002-04-11 US disclosed
US-20020041880-A1 Method of treating cancer DEFEO-JONES DEBORAH (US) 2002-04-11 US disclosed
US-6355611-B1 SODIUM SALT OF PROSTATE SPECIFIC ANTIGEN CONJUGATE COMPOUND; USEFUL IN TREATMENT OF PROSTATE CANCER AND BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2002-03-12 US disclosed
WO-2001030804-A2 SALT FORM OF A CONJUGATE USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-05-03 WO disclosed
WO-2001029065-A1 PROCESS FOR PREPARING PEPTIDE INTERMEDIATES MERCK SHARP & DOHME LIMITED (GB) 2001-04-26 WO disclosed
WO-2001028593-A2 CONJUGATES USEFUL IN THE TREATMENT OF PROSTATE CANCER MERCK & CO., INC. (US) 2001-04-26 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 (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-20030133927-A1 Conjugates useful in the treatment of prostate cancer BCL2, BCL2L10, BCL2L13 PNMT 1126/4885NPC1 4614/4885RAB9A 3932/4885
US-20020042375-A1 Method of treating cancer ACP3, KLK3, FOLH1 PNMT 680/4885NPC1 1288/4885RAB9A 4133/4885
US-20020041880-A1 Method of treating cancer ACP3, FOLH1, KLK3 PNMT 750/4885NPC1 1879/4885RAB9A 3848/4885

“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.