SCHEMBL692543

SCHEMBL692543

CCC(OC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.44
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2D6 P10635 1/20 0.42
SRC P12931 1/20 0.42
PPARG P37231 5/20 0.41
PPARA Q07869 5/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.41
SRR Q9GZT4 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10334627 0.87 PPARG (0.54) KLK7LMNACYP2D6SRCPPARG
SCHEMBL9292744 0.84 MMP8 (0.50) KLK7LMNASMN1; SMN2POLBMEN1
SCHEMBL6170700 0.82 LMNA (0.43) LMNACYP2D6SRCMAPK1SRR
SCHEMBL5520718 0.82 LMNA (0.43) LMNACYP2D6SRCMAPK1SRR
SCHEMBL11380505 0.78 KLK7 (0.40) KLK7LMNASMN1; SMN2PPARGPPARA
SCHEMBL5509575 0.78 SLC6A2 (0.41) LMNASMN1; SMN2MEN1KMT2ACHRM1
Hydrochloric Acid SCHEMBL11382393 0.77 KLK7 (0.39) KLK7LMNASMN1; SMN2PPARGPPARA
SCHEMBL360653 0.75 KLK7 (0.68) KLK7LMNASMN1; SMN2CYP2D6POLB
SCHEMBL360652 0.75 KLK7 (0.68) KLK7LMNASMN1; SMN2CYP2D6POLB
SCHEMBL10335670 0.75 POLB (0.49) KLK7SMN1; SMN2PPARGPPARAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190133118-A1 TIME-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME BAYER CROPSCIENCE AKTIENGESSELSCHAFT (DE) 2019-05-09 US disclosed
WO-2017186577-A1 TIMED-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME BAYER CROPSCIENCE AKTIENGESSELSCHAFT (DE) 2017-11-02 WO disclosed
EP-3238540-A1 TIMED-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME Bayer CropScience Aktiengesellschaft (DE) 2017-11-01 EP disclosed
EP-2731933-A2 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer Intellectual Property GmbH (DE) 2014-05-21 EP disclosed
WO-2013010882-A2 2,3-DIPHENYL-VALERONITRILE DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-24 WO disclosed
EP-2421371-A1 USE OF PROPINEB AS BIRD REPELLENT Bayer CropScience AG (DE) 2012-02-29 EP disclosed
US-20110269832-A1 USE OF PROPINEB AS BIRD REPELLENT BAYER CROPSCIENCE AG (DE) 2011-11-03 US disclosed
WO-2011107443-A1 USE OF PROPINEB FOR PHYSIOLOGICAL CURATIVE TREATMENT UNDER ZINC DEFICIENCY BAYER CROPSCIENCE AG (DE) 2011-09-09 WO disclosed
US-20110218107-A1 Use of Propineb for Physiological Curative Treatment Under Zinc Deficiency BAYER CROPSCIENCE AG (DE) 2011-09-08 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 (3 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-20190133118-A1 TIME-RELEASE-TYPE GRANULAR AGROCHEMICAL COMPOSITION AND METHOD FOR MANUFACTURING SAME SLC18A1, GRN, SAMM50 KLK7 913/4885LMNA 2067/4885SMN1; SMN2 3449/4885
US-20110218107-A1 Use of Propineb for Physiological Curative Treatment Under Zinc Deficiency PLPBP, ZFR, CTRB1 KLK7 1873/4885LMNA 4573/4885SMN1; SMN2 3210/4885
US-20110269832-A1 USE OF PROPINEB AS BIRD REPELLENT NMBR, EPHB4, EPHB1 KLK7 860/4885LMNA 4337/4885SMN1; SMN2 4615/4885

“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.