SCHEMBL2964397

SCHEMBL2964397

CCCC[C](C)NC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
CES1 P23141 2/20 0.34
PKM P14618 1/20 0.34
CES2 O00748 1/20 0.33
EPHX1 P07099 2/20 0.32
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.30
EPHX2 P34913 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
SCHEMBL7597637 0.81 MEN1 (0.48) CA1MEN1KMT2AFAAHMAPK1
SCHEMBL18699932 0.76 CA12 (0.39) CA12CA1CA2CA9MMP1
SCHEMBL9462550 0.76 FAAH (0.59) CA12CA1CA2CA9MMP1
SCHEMBL5207984 0.75 MMP1 (0.41) CA12CA1CA2CA9MMP1
SCHEMBL5206101 0.70 MMP1 (0.44) CA12CA1CA2CA9MMP1
SCHEMBL5209157 0.70 MMP1 (0.40) CA12CA1CA2CA9MMP1
SCHEMBL9462320 0.70 FAAH (0.68) MEN1KMT2AFAAHMAPK1SMN1; SMN2
SCHEMBL2058975 0.68 FAAH (0.71) MEN1KMT2AFAAHMAPK1SMN1; SMN2
SCHEMBL11504092 0.68 CA12 (0.45) CA12CA1CA2CA9MEN1
SCHEMBL12540859 0.68 FAAH (0.71) MEN1KMT2AFAAHMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767624-B2 3-Heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2010-08-03 US disclosed
EP-1527052-B1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AG (DE) 2006-05-31 EP disclosed
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives BASF AKTIENGESELLSCHAFT (DE) 2005-10-27 US disclosed
EP-1527052-A1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2005-05-04 EP disclosed
US-20050085516-A1 2-W-diaminocarboxylic acid compounds BASF AKTIENGESELLSCHAFT (DE) 2005-04-21 US disclosed
EP-0944623-B1 SUBSTITUTED PYRAZOLE-3-YL BENZAZOLES BASF AG (DE) 2004-09-01 EP disclosed
WO-2004009561-A1 3-HETEROCYCLYL SUBSTITUTED BENZOIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-01-29 WO disclosed
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-08-28 US disclosed
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones BASF AKTIENGESELLSCHAFT (DE) 2003-07-10 US disclosed
EP-1200428-B1 SUBSTITUTED BENZOXAZOLES BASF AG (DE) 2003-04-16 EP disclosed
EP-0915853-B1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AG (DE) 2002-11-06 EP disclosed
EP-1237879-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed
EP-1076660-B1 SUBSTITUTED (4-BROMPYRAZOLE-3-YL)BENZAZOLES BASF AG (DE) 2002-06-26 EP disclosed
US-6383986-B1 USE AS HERBICIDES, DESICCANTS OR DEFOLIANTS AND PLANT SAFENING AGENTS BASF AKTIENGESELLSCHAFT (DE) 2002-05-07 US disclosed
EP-1200428-A1 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2002-05-02 EP disclosed
WO-2001079182-A1 2-PHENYL-2H-PYRIDAZINE-3-ONES BASF AKTIENGESELLSCHAFT (DE) 2001-10-25 WO disclosed
WO-2001044204-A1 PHENOXY AND THIOPHENOXY ACRYLIC ACID COMPOUNDS AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-06-21 WO disclosed
US-6232470-B1 AGRICULTURE BASF AKTIENGESELLSCHAFT (DE) 2001-05-15 US disclosed
US-6197973-B1 HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
WO-2001012625-A2 SUBSTITUTED BENZOXAZOLES BASF AKTIENGESELLSCHAFT (DE) 2001-02-22 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 (4 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-20050085516-A1 2-W-diaminocarboxylic acid compounds DDT, ANTXR2, MTX2 CA12 718/4885CA1 1125/4885CA2 211/4885
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX CA12 2911/4885CA1 773/4885CA2 523/4885
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 CA12 3363/4885CA1 1759/4885CA2 389/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 CA12 3265/4885CA1 1714/4885CA2 277/4885

“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.