SCHEMBL5262404

SCHEMBL5262404

CCCCOCCCNC=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.67
ADH1A P07327 3/20 0.67
ADH7 P40394 3/20 0.67
ADH1C P00326 2/20 0.67
EPHX1 P07099 1/20 0.64
ADH4 P08319 1/20 0.64
TSHR P16473 6/20 0.43
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RECQL P46063 1/20 0.37

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
SCHEMBL3015888 0.96 ADH1B (0.67) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8361119 0.92 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3135671 0.92 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL8957786 0.92 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL7455633 0.92 ADH1B (0.72) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3027601 0.91 ADH1B (0.60) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3033436 0.89 ADH1B (0.75) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL9842855 0.89 ADH1B (0.75) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL3032502 0.89 ADH1B (0.75) ADH1BADH1AADH7ADH1CEPHX1
SCHEMBL25922474 0.89 ADH1B (0.75) ADH1BADH1AADH7ADH1CEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP claimed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US claimed
JP-2003525278-A 2003-08-26 JP claimed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US claimed
EP-1268444-A1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS AstraZeneca AB (SE) 2003-01-02 EP claimed
WO-2001064655-A1 2, 4-DI(HETERO-)ARYLAMINO (-OXY)-5-SUBSTITUTED PYRIMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2001-09-07 WO claimed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US claimed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
EP-1268444-B1 2,4-DI(HETERO-)ARYLAMINO(-OXY)-5-SUBSTITUTED PYRMIDINES AS ANTINEOPLASTIC AGENTS ASTRAZENECA AB (SE) 2007-01-17 EP disclosed
US-6649608-B2 Cyclin-dependent serine/threonine and focal adhesion kinase inhibitors ASTRAZENECA AB (SE) 2003-11-18 US disclosed
US-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents ASTRAZENECA AB (SE) 2003-08-07 US disclosed
EP-0321190-B1 Silver halide color photographic light-sensitive material KONISHIROKU PHOTO IND (JP) 1994-02-09 EP disclosed
EP-0318759-B1 MULTILAYERED ELECTROPHOTOGRAPHICAL RECORDING MATERIAL BASF Aktiengesellschaft (DE) 1993-01-27 EP disclosed
EP-0320778-A2 Silver halide photograhic lightsensitive material KONICA CORPORATION (JP) 1989-06-21 EP disclosed
EP-0318759-A1 Multilayered electrophotographical recording material BASF Aktiengesellschaft (DE) 1989-06-07 EP disclosed
EP-0304856-A2 Silver halide color photograhic light-sensitive material KONICA CORPORATION (JP) 1989-03-01 EP disclosed
US-4373102-A Isoindoline dyes, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1983-02-08 US disclosed
US-4315855-A Monoazo disperse dyes containing a nitrophenyl group and a homophthalimide group BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0017132-B1 DYESTUFFS, THEIR PREPARATION AND UTILISATION BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed
EP-0017132-A1 Dyestuffs, their preparation and utilisation BASF Aktiengesellschaft (DE) 1980-10-15 EP 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 (2 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-20030149266-A1 2,4-Di(hetero-)arylamino (oxy)-5-substituted pyrimidines as antineoplastic agents CDK2, CCNI, CDK1 ADH1B 4175/4885ADH1A 3713/4885ADH7 4566/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 ADH1B 4405/4885ADH1A 4207/4885ADH7 4200/4885

“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.