SCHEMBL7922006

SCHEMBL7922006

O=C=Nc1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 4/20 0.38
TSHR P16473 2/20 0.38
TRPA1 O75762 1/20 0.38
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
AHR P35869 4/20 0.32
CYP1A2 P05177 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL9836913 0.85 MAPK1 (0.52) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL11552930 0.85 MAPK1 (0.52) MAPK1TDP1HTR3EHTR3BHTR3A
SCHEMBL5206535 0.83 MAPK1 (0.59) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL7931082 0.81 MAPK1 (0.57) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL14254774 0.81 MAPK1 (0.57) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL8840231 0.81 MAPK1 (0.57) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL11760689 0.78 CYP3A4 (0.50) MAPK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL131042 0.78 TDP1 (0.50) MAPK1TDP1ALDH1A1CYP3A4TSHR
SCHEMBL10648934 0.78 MAPK1 (0.53) MAPK1TDP1CYP3A4TSHRTRPA1
SCHEMBL93410 0.77 MAPK1 (0.52) MAPK1TDP1HTR3EHTR3BHTR3A

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-9045403-B2 Geranyl geranyl acetone (GGA) derivatives and compositions thereof COYOTE PHARMACEUTICALS, INC. (US) 2015-06-02 US disclosed
US-20150025077-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2015-01-22 US disclosed
WO-2014163643-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2014-10-09 WO disclosed
WO-2014151719-A1 SUBLINGUAL FORMULATIONS INCLUDING GERANYLGERANYLACETONE AND GERANYLGERANYLACETONE DERIVATIVES COYOTE PHARMACEUTICALS, INC. (US) 2014-09-25 WO disclosed
US-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
WO-2013130654-A1 GGA AND GGA DERIVATIVES, COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM COYOTE PHARMACEUTICALS, INC. (US) 2013-09-06 WO disclosed
EP-1140735-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040524-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2000-07-13 WO disclosed
CN-1050124-C Herbicide containing oxazolidinedione derivatives SAGAMI CHEM RES (JP) 2000-03-08 CN disclosed
US-5981789-A CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD OCCIDENTAL CHEMICAL CORPORATION (US) 1999-11-09 US disclosed
EP-0241559-B1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-10-30 EP disclosed
US-4983751-A Chemical intermediates SAGAMI CHEMICAL RESEARCH CENTER (JP) 1991-01-08 US disclosed
EP-0176868-B1 BENZOYL UREAS HAVING AN INSECTICIDAL ACTIVITY SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-04-12 EP disclosed
US-4818272-A NONPHYTOTOXICITY FOR CROPS HELICAL STREAMS SAGAMI CHEMICAL RESEARCH CENTER (JP) 1989-04-04 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
EP-0241559-A1 OXAZOLIDINEDIONE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND HERBICIDES CONTAINING THE SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1987-10-21 EP disclosed
CN-86108416-A Oxazolidinedione derivative, process for producing the same, and herbicide containing the same 1987-07-29 CN disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0176868-A1 Benzoyl ureas having an insecticidal activity SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1986-04-09 EP disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 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-20130296323-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 MAPK1 605/4885TDP1 1522/4885HTR3E 4494/4885
US-20150025077-A1 GGA AND GGA DERIVATIVES COMPOSITIONS THEREOF AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES INCLUDING PARALYSIS INCLUDING THEM BAX, GAP43, SMN1; SMN2 MAPK1 605/4885TDP1 1522/4885HTR3E 4494/4885

“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.