SCHEMBL6163862

SCHEMBL6163862

[CH2]C(=O)N(CCCCCC)CCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA9 Q16790 3/20 0.50
CA2 P00918 1/20 0.50
ZDHHC20 Q5W0Z9 2/20 0.49
ZDHHC2 Q9UIJ5 1/20 0.49
MGLL Q99685 1/20 0.45
DNM1 Q05193 3/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP3 P08254 1/20 0.43
MMP8 P22894 1/20 0.43
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
TSHR P16473 3/20 0.41
GPR84 Q9NQS5 3/20 0.41
HDAC11 Q96DB2 3/20 0.41

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
SCHEMBL6162968 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL6162958 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL15766566 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL6164843 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL6131093 1.00 CA12 (0.50) CA12CA1CA9CA2ZDHHC20
SCHEMBL5826286 0.98 CA12 (0.48) CA12CA1CA9CA2ZDHHC20
SCHEMBL15766432 0.91 MGLL (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL497912 0.90 CA12 (0.56) CA12CA1CA9CA2ZDHHC20
SCHEMBL498626 0.86 CA12 (0.52) CA12CA1CA9CA2ZDHHC20
SCHEMBL6547338 0.85 DNM1 (0.50) CA12CA1CA9CA2ZDHHC20

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1055712-B1 Aqueous ink for ink jet recording MITSUI CHEMICALS INC (JP) 2005-02-16 EP disclosed
US-6720421-B2 STORAGE STABILITY: GOOD RAW-STOCK STORABILITY BEFORE RECORDING AND GOOD IMAGE STORABILITY AFTER RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
EP-1379238-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER Abbott Laboratories (US) 2004-01-14 EP disclosed
US-20030166961-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative FUJI PHOTO FILM CO., LTD. 2003-09-04 US disclosed
US-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer ABBOTT LABORATORIES 2003-05-15 US disclosed
WO-2002085351-A1 FAVORABLE MODULATION OF HEALTH-RELATED QUALITY OF LIFE AND HEALTH-RELATED QUALITY-ADJUSTED TIME-TO-PROGRESSION OF DISEASE IN PATIENTS WITH PROSTATE CANCER ABBOTT LABORATORIES (US) 2002-10-31 WO disclosed
US-20020161225-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative FUJI PHOTO FILM CO., LTD. 2002-10-31 US disclosed
EP-1055712-A2 Aqueous ink for ink jet recording Mitsui Chemicals, Inc. (JP) 2000-11-29 EP disclosed
US-6147051-A ANTIISCHEMIC AGENT TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2000-11-14 US disclosed
US-5658926-A ANTICOAGULANTS, ANTIHISTAMINES, ANTIARRHYTHMIC, CARTIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-08-19 US disclosed
EP-0499266-B1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-07-10 EP disclosed
US-5506239-A Carbostyril derivative and platelets aggregation inhibitory agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-04-09 US disclosed
EP-0626174-A2 Methods and compositions for the prophylactic and/or therapeutic treatment of organ hypofunction TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-30 EP disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0569592-A1 CARBOSTYRIL DERIVATIVE AND PLATELET AGGLUTINATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-11-18 EP disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 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-20030166961-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative UROD, ATIC, DDC CA12 2090/4885CA1 123/4885CA9 640/4885
US-20030092757-A1 Favorable modulation of health-related quality of life and health-related quality-adjusted time-to-progression of disease in patients with prostate cancer KLK3, ACP3, BPHL CA12 2629/4885CA1 4501/4885CA9 2984/4885
US-20020161225-A1 Phenylurethane compounds and methods for producing same, asymmetric urea compounds and methods for producing same, barbituric acid derivative, and diazo thermal recording material containing the derivative UROD, ATIC, DDC CA12 2090/4885CA1 123/4885CA9 640/4885

“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.