SCHEMBL10179330

SCHEMBL10179330

CCCC(Cl)(Cl)CCCCl

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL8368835 0.82 FDPS (0.37) TSHRTDP1ALDH1A1
SCHEMBL5523107 0.82
SCHEMBL8197016 0.80 FDPS (0.39) TSHRALDH1A1
SCHEMBL5523111 0.76 TSHR (0.40) TSHRTDP1ALDH1A1
SCHEMBL30668865 0.74 SMN1; SMN2 (0.46) TSHRALDH1A1
SCHEMBL11213496 0.73
Methylene Chloride SCHEMBL19064598 0.72 TSHR (0.48) TSHRTDP1ALDH1A1
Methylene Chloride SCHEMBL2388456 0.72 TSHR (0.48) TSHRTDP1ALDH1A1
Methylene Chloride SCHEMBL2064725 0.72 TSHR (0.48) TSHRTDP1ALDH1A1
Methylene Chloride SCHEMBL3865938 0.72 TSHR (0.48) TSHRTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160102103-A1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2016-04-14 US disclosed
EP-2474226-A1 Herbicidally active composition comprising cyanobutyrates BASF SE (DE) 2012-07-11 EP disclosed
US-4840659-A HERBICIDES MONSANTO COMPANY (US) 1989-06-20 US disclosed
EP-0186647-B1 PROCESS FOR PREPARING GLYPHOSATE AND GLYPHOSATE DERIVATIVES Monsanto Company (US) 1989-03-01 EP disclosed
US-4659860-A PHYTOTOXICANTS, HERBICIDES MONSANTO COMPANY (US) 1987-04-21 US disclosed
EP-0186648-A1 Process for the preparation of glyphosate and glyphosate derivatives Monsanto Company (US) 1986-07-02 EP disclosed
EP-0186647-A1 Process for preparing glyphosate and glyphosate derivatives Monsanto Company (US) 1986-07-02 EP disclosed
US-4568432-A REACTING OXO-AMINES WITH CARBONYLPHOSPHONIC COMPOUND, THEN REDUCTION MONSANTO COMPANY (US) 1986-02-04 US disclosed
US-4495363-A HERBICIDES-PHYTOTOXICANTS MONSANTO CO. (US) 1985-01-22 US disclosed
US-4405531-A HERBICIDES, PHYTOTOXICITY MONSANTO COMPANY (US) 1983-09-20 US disclosed
US-4131448-A HERBICIDE MONSANTO COMPANY (US) 1978-12-26 US disclosed
US-4130412-A HERBICIDE MONSANTO COMPANY (US) 1978-12-19 US disclosed
US-4062669-A N-Organo-N-phosphonomethylglycine-N-oxides and plant growth regulant and phytotoxicant compositions containing same MONSANTO COMPANY (US) 1977-12-13 US disclosed
US-3979202-A Meta-bifunctional benzenes and herbicidal compositions MONSANTO COMPANY (US) 1976-09-07 US disclosed
US-3977860-A PHYTOTOXICANTS MONSANTO COMPANY (US) 1976-08-31 US disclosed
US-3962160-A NOVEL ORGANOFUNCTIONAL (KETOXIMINO) SILANES AND ROOM TEMPERATURE, VULCANIZABLE COMPOSITIONS CONTAINING THE SAME GENERAL ELECTRIC COMPANY (US) 1976-06-08 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 (1 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-20160102103-A1 SUBSTITUTED PYRIDINE COMPOUNDS HAVING HERBICIDAL ACTIVITY DDT, PNPO, CYP4X1 TSHR 3053/4885TDP1 2554/4885ALDH1A1 189/4885

“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.