SCHEMBL2964896

SCHEMBL2964896

C[CH]NC(CC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.34
CA2 P00918 6/20 0.33
CA1 P00915 4/20 0.33
DNM1 Q05193 2/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
MAPK1 P28482 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
CTSK P43235 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
SCHEMBL3376456 0.85
SCHEMBL22157348 0.84 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL22157347 0.84 ALDH1A1 (0.37) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL8374807 0.81 ADH1B (0.47) ALDH1A1TSHRDNM1ADH1BADH1C
SCHEMBL8374759 0.81 ADH1B (0.47) ALDH1A1TSHRDNM1ADH1BADH1C
SCHEMBL22157499 0.80 ADH1B (0.38) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL22157503 0.80 ADH1B (0.38) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL8626813 0.79 ADH1B (0.50) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL22157422 0.79 TSHR (0.37) ALDH1A1TSHRCYP3A4SMN1; SMN2TDP1
SCHEMBL1678821 0.79

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 26 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-1451148-A2 2,W-DIAMINOCARBOXYLIC ACID COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2004-09-01 EP 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-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
CN-1302298-A Substituted (4-brompyrazole-3-yl) indole BASF AG (DE) 2001-07-04 CN 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
CN-1244865-A Substituted pyrazole-3-yl benzazoles BASF AK (DE) 2000-02-16 CN disclosed
EP-0915853-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
WO-1998038169-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-09-03 WO disclosed
WO-1998005649-A1 SUBSTITUTED 3-PHENYL PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-02-12 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 ALDH1A1 181/4885TSHR 2226/4885CYP3A4 1834/4885
US-20050239655-A1 3-heterocyclyl substituted benzoic acid derivatives DDT, CBR3, BROX ALDH1A1 260/4885TSHR 1294/4885CYP3A4 1361/4885
US-20030130123-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 ALDH1A1 439/4885TSHR 958/4885CYP3A4 213/4885
US-20030162662-A1 2-Phenyl-2h-pyridazine-3-ones CNPY2, CBR3, CBR1 ALDH1A1 768/4885TSHR 873/4885CYP3A4 238/4885

“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.