SCHEMBL668872

SCHEMBL668872

Fc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.40
▸ TXNRD3 Q86VQ6 1/20 0.40
▸ TXNRD2 Q9NNW7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GABRA2 P47869 4/20 0.38
▸ GABRB2 P47870 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ PLAU P00749 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ CES2 O00748 1/20 0.37
▸ GABRB3 P28472 5/20 0.36
▸ GABRP O00591 1/20 0.36

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
Fluoride Ion SCHEMBL10713269 0.95 PDE2A (0.38) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL1531168 0.87 PDE2A (0.37) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL10262533 0.85 PDE2A (0.40) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL30530057 0.84 PDE2A (0.39) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL10680627 0.84 GABRB3 (0.36) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL9339616 0.84 PTPN5 (0.41) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL9339574 0.84 ALDH1A1 (0.38) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL2331553 0.84 PDE2A (0.39) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL26617143 0.84 PDE2A (0.35) PDE2AALDH1A1CYP3A4HPGDALOX15
SCHEMBL17062134 0.80 PKM (0.38) PDE2AALDH1A1CYP3A4HPGDALOX15

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 200 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100096585-A1 Process for Preparing 2,6-Dichloro-4-(Trifluoromethyl)Phenylhydrazine Using Mixtures of Dichloro-Fluoro-Trifluoromethylbenzenes BASF SE (DE) 2010-04-22 — — US claimed
EP-0180057-B1 PROCESS FOR THE PREPARATION OF HALO AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 1989-08-09 — — EP claimed
EP-0289036-A1 Preparation of 3-chloro-4,5-difluorobenzotrifluoride OCCIDENTAL CHEMICAL CORPORATION (US) 1988-11-02 — — EP claimed
US-4603222-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-07-29 — — US claimed
EP-0180057-A1 Process for the preparation of halo aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1986-05-07 — — EP claimed
EP-0173349-A1 Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1986-03-05 — — EP claimed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 — — EP claimed
EP-4709712-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF Blueprint Medicines Corporation (US) 2026-03-18 — — EP disclosed
CN-118978698-B Hydrophobic thermoplastic polyimide resin and preparation method thereof 江苏集萃功能材料研究所有限公司 2025-02-07 — — CN disclosed
CN-118978698-A Hydrophobic thermoplastic polyimide resin and preparation method thereof 江苏集萃功能材料研究所有限公司 2024-11-19 — — CN disclosed
WO-2024233900-A1 GSK3A INHIBITORS AND METHODS OF USE THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2024-11-14 — — WO disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 — — EP disclosed
EP-1601642-B1 BIOAVAILABLE DIACYLHYDRAZINE LIGANDS FOR MODULATING THE EXPRESSION OF EXOGENOUS GENES VIA AN ECDYSONE RECEPTOR COMPLEX INTREXON CORP (US) 2017-01-04 — — EP disclosed
US-4469893-A Method for the preparation of nitrodiphenyl ethers OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-04 — — US disclosed
EP-0034402-B1 METHOD OF PREPARING FLUORINE-SUBSTITUTED DIPHENYL ETHER DERIVATIVES AND FLUORINE-SUBSTITUTED HALOGENO BENZENE DERIVATIVES FOR USE THEREIN IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-08-29 — — EP disclosed
US-4388472-A Substituted diphenyl ethers IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-06-14 — — US disclosed
US-4384135-A REACTING A SUBSTITUTED BENZOTRIFLUORIDE WITH A SUBSTITUTED PHENOL IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-17 — — US disclosed
EP-0023100-B1 HERBICIDAL COMPOSITIONS COMPRISING A DIPHENYL ETHER COMPOUND IN ADMIXTURE WITH ANOTHER HERBICIDE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-11-10 — — EP disclosed
EP-0034402-A2 Method of preparing fluorine-substituted diphenyl ether derivatives and fluorine-substituted halogeno benzene derivatives for use therein IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-08-26 — — EP disclosed
EP-0023100-A1 Herbicidal compositions comprising a diphenyl ether compound in admixture with another herbicide IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-28 — — 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 (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-20100096585-A1 Process for Preparing 2,6-Dichloro-4-(Trifluoromethyl)Phenylhydrazine Using Mixtures of Dichloro-Fluoro-Trifluoromethylbenzenes DAZAP1, CYP4Z1, CYP2F1 PDE2A 3241/4885ALDH1A1 93/4885CYP3A4 41/4885

“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.

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