SCHEMBL270274

SCHEMBL270274

CCCCN(C=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 3/20 0.35
ADH1A P07327 3/20 0.35
ADH4 P08319 2/20 0.35
TSHR P16473 2/20 0.35
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 2/20 0.32
ADH1B P00325 2/20 0.31
ADH7 P40394 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL269699 0.85 ADH1A (0.40) ADH1CADH1AADH4CA1
SCHEMBL1413067 0.79
SCHEMBL2825260 0.79 TSHR (0.39) ADH1CADH1AADH4TSHRCA12
SCHEMBL22142651 0.79
SCHEMBL270367 0.76 ALDH1A1 (0.32) CA12CA1CA9
SCHEMBL270858 0.74
SCHEMBL1412993 0.73
SCHEMBL1998313 0.73 MAPT (0.33)
SCHEMBL18556781 0.73
SCHEMBL28028795 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0767671-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1997-04-16 EP claimed
WO-1994025046-A1 METHOD OF COMBATING ACYCLOVIR-RESISTANT HERPES SIMPLEX VIRAL INFECTIONS BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1994-11-10 WO claimed
US-8754010-B2 Herbicidal mixtures BASF AKTIENGESELLSCHAFT (DE) 2014-06-17 US disclosed
EP-1697309-B1 BENZOYL-SUBSTITUTED PHENYLALANINE AMIDES BASF SE (DE) 2014-04-23 EP disclosed
US-8604068-B2 Insecticidal compositions of 2-cyanobenzene sulfonamide compounds and isomeric forms thereof having improved effect BAYER CROPSCIENCE AG (DE) 2013-12-10 US disclosed
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
EP-1888509-B1 BENZOYL-SUBSTITUTED SERINE AMIDES BASF SE (DE) 2013-05-15 EP disclosed
EP-2537829-A1 Aminobenzoylsulfamides and their preparation BASF SE (DE) 2012-12-26 EP disclosed
EP-2534952-A1 Insecticide compositions of 2-cyanobenzolsulfonamides and their isomeric forms with improved properties Bayer CropScience AG (DE) 2012-12-19 EP disclosed
US-20120302441-A1 HERBICIDAL MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2012-11-29 US disclosed
WO-1993025205-A1 PYRAZOLOPYRIDINE COMPOUNDS FOR THE TREATMENT OF ANEMIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-12-23 WO disclosed
WO-1993022280-A1 SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM BASF AKTIENGESELLSCHAFT (DE) 1993-11-11 WO disclosed
EP-0513580-A2 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed
US-5155114-A Treating or preventing renal toxicity, nephrosis, nephritis FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-10-13 US disclosed
EP-0497258-A2 Use of adenosine antagonists in the prevention and treatment of pancreatitis and ulcer FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0476607-A2 2-Anilino-cyanopyridines and their use for pest control BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0475158-A2 Use of alpha aryl acrylic acid derivatives for pest control BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-4985444-A Pyrazolopyridine compound and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-15 US disclosed
EP-0379979-A1 Pyrazolopyridine compounds and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-08-01 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 (1 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-20120302441-A1 HERBICIDAL MIXTURES RYR2, DDT, P2RX6 ADH1C 1161/4885ADH1A 3144/4885ADH4 3500/4885

“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.