SCHEMBL7124183

SCHEMBL7124183

CCOC(=CC(=O)O)CCl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HCAR2 Q8TDS4 2/20 0.43
SOAT1 P35610 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
CYP2D6 P10635 2/20 0.33
TRPA1 O75762 1/20 0.33
GLO1 Q04760 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL7124182 1.00 ALDH1A1 (0.44) ALDH1A1HCAR2SOAT1NPSR1SMN1; SMN2
SCHEMBL7124178 1.00 ALDH1A1 (0.44) ALDH1A1HCAR2SOAT1NPSR1SMN1; SMN2
SCHEMBL17434645 0.83 HCAR2 (0.47) ALDH1A1HCAR2SMN1; SMN2LMNAGAA
SCHEMBL17434642 0.83 HCAR2 (0.47) ALDH1A1HCAR2SMN1; SMN2LMNAGAA
SCHEMBL17434643 0.83 HCAR2 (0.47) ALDH1A1HCAR2SMN1; SMN2LMNAGAA
SCHEMBL17466112 0.83 ALDH1A1 (0.44) ALDH1A1HCAR2SOAT1NPSR1SMN1; SMN2
SCHEMBL9427312 0.83 NPSR1 (0.52) ALDH1A1HCAR2SOAT1NPSR1SMN1; SMN2
SCHEMBL11196356 0.83 NPSR1 (0.52) ALDH1A1HCAR2SOAT1NPSR1SMN1; SMN2
SCHEMBL8646347 0.83 NPSR1 (0.52) ALDH1A1HCAR2SOAT1NPSR1SMN1; SMN2
SCHEMBL3555076 0.82 HCAR2 (0.46) ALDH1A1HCAR2SOAT1NPSR1SMN1; 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2975040-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF Sagami Chemical Research Institute (JP) 2016-01-20 EP disclosed
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents DIXON BRIAN R (US) 2003-11-06 US disclosed
US-6353006-B1 TREATMENT OF BONE DISORDERS, OSTEOPOROSIS AND HEALING AGENT BAYER CORPORATION 2002-03-05 US disclosed
EP-1144396-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS Bayer Corporation (US) 2001-10-17 EP disclosed
WO-2000042031-A2 SUBSTITUTED 2-ARYLIMINO HETEROCYCLES AND COMPOSITIONS CONTAINING THEM, FOR USE AS PROGESTERONE RECEPTOR BINDING AGENTS BAYER CORPORATION (US) 2000-07-20 WO disclosed
US-5349069-A Process for the preparation of 4-phosphinyl-3-keto-carboxylate and 4-phosphonyl-3-keto-carboxylate intermediates useful in the preparation of phosphorus containing HMG-COA reductase inhibitors E. R. SQUIBB & SONS, INC. (US) 1994-09-20 US disclosed
US-5298625-A Process for the preparation of 4-phosphinyl-3-keto-carboxylate and 4-phosphonyl-3-keto-carboxylate intermediates useful in the preparation of phosphorus containing HMG-CoA reductase inhibitors E. R. SQUIBB & SONS, INC. (US) 1994-03-29 US disclosed
US-5072006-A Chemical intermeidate; hypotensive agents, muscle relaxants RECHERCHE SYNTEX FRANCE S.A. (FR) 1991-12-10 US disclosed
US-4997846-A Smooth muscle relaxants, hypotensives RESEARCHE SYNTEX FRANCE, S.A. (FR) 1991-03-05 US disclosed
EP-0377966-A2 Novel benzopyranylpyrrolinone derivatives RECHERCHE SYNTEX FRANCE SA (FR) 1990-07-18 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 ALDH1A1 596/4885HCAR2 1561/4885SOAT1 2857/4885
US-20030207865-A1 Substituted 2-arylimino heterocycles and compositions containing them for use as progesterone receptor binding agents PGR, PGRMC2, PGRMC1 ALDH1A1 587/4885HCAR2 377/4885SOAT1 3426/4885

“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.