SCHEMBL161263

SCHEMBL161263

CSCC(Cc1ccccc1)(C(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP1A2 P05177 2/20 0.41
RECQL P46063 1/20 0.41
PTPN1 P18031 3/20 0.40
PTPN2 P17706 1/20 0.40
PTPRA P18433 1/20 0.40
PTPRB P23467 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPK1 P28482 1/20 0.40
SLC6A2 P23975 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
FDPS P14324 1/20 0.39
LMNA P02545 2/20 0.39
CES2 O00748 1/20 0.38

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
SCHEMBL718627 0.85 CYP1A2 (0.50) CYP1A2
SCHEMBL9167412 0.85 PTPN1 (0.39) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL338742 0.82 SMN1; SMN2 (0.61) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL163162 0.80 ALDH1A1 (0.54) SMN1; SMN2HIF1AALDH1A1RECQLPTPN1
SCHEMBL21269769 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL21269594 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL21268824 0.80 SMN1; SMN2 (0.59) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL395522 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL7434259 0.79 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9
SCHEMBL21269412 0.77 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103188936-B Insecticidal composition DOW AGROSCIENCES LLC (US) 2016-04-20 CN disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-8912338-B2 Pesticidal compositions Dow AgroScience, LLC. (US) 2014-12-16 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
US-20140057785-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-02-27 US disclosed
EP-2611299-A1 PESTICIDAL COMPOSITIONS Dow AgroSciences LLC (US) 2013-07-10 EP disclosed
CN-103188936-A Insecticidal composition DOW AGROSCIENCES LLC 2013-07-03 CN disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
WO-2012030681-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2012-03-08 WO disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US disclosed
US-20120053146-A1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC 2012-03-01 US 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-20120053146-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS SMN1; SMN2 3552/4885HIF1A 4811/4885ALDH1A1 1882/4885
US-20140057785-A1 PESTICIDAL COMPOSITIONS ACHE, DDT, PTMS SMN1; SMN2 4175/4885HIF1A 4823/4885ALDH1A1 1438/4885

“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.