SCHEMBL6353876

SCHEMBL6353876

Clc1cc(Cl)c(C(Cl)(Cl)Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 6/20 0.52
▸ CYP3A4 P08684 4/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ AHR P35869 4/20 0.40
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ FLT1 P17948 1/20 0.32
▸ ALPL P05186 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL11226916 0.94 TSHR (0.57) TSHRCYP3A4MAPK1TDP1AHR
SCHEMBL11548109 0.90 TSHR (0.55) TSHRCYP3A4MAPK1TDP1AHR
SCHEMBL11685824 0.88 TSHR (0.52) TSHRCYP3A4MAPK1TDP1ALDH1A1
SCHEMBL11602077 0.80 CYP3A4 (0.46) TSHRCYP3A4MAPK1TDP1
SCHEMBL7555551 0.78 TDP1 (0.44) TSHRCYP3A4MAPK1TDP1ALDH1A1
SCHEMBL10493755 0.78 CYP3A4 (0.44) TSHRCYP3A4MAPK1TDP1LMNA
SCHEMBL10493709 0.78 CYP3A4 (0.44) TSHRCYP3A4MAPK1TDP1TP53
SCHEMBL31092645 0.78 TDP1 (0.44) TSHRCYP3A4MAPK1TDP1ALDH1A1
SCHEMBL10969574 0.75 CYP3A4 (0.41) TSHRCYP3A4MAPK1TDP1
SCHEMBL10969576 0.75 CYP3A4 (0.41) TSHRCYP3A4MAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178121-A Preparation method of 2,4, 5-trifluoro-benzaldehyde 浙江巍华新材料股份有限公司 2023-05-30 — — CN claimed
US-4191711-A Process for the preparation of certain nuclear chlorinated benzotrichlorides BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 — — US claimed
CN-116178121-A Preparation method of 2,4, 5-trifluoro-benzaldehyde 浙江巍华新材料股份有限公司 2023-05-30 — — CN disclosed
CN-116178121-A Preparation method of 2,4, 5-trifluoro-benzaldehyde 浙江巍华新材料股份有限公司 2023-05-30 — — CN disclosed
EP-1528052-B1 Process for the production of 4-amino-3,5-dichlorobenzotrifluoride with high purity commercial products being obtained in parallel FINCHIMICA SRL (IT) 2013-07-31 — — EP disclosed
US-6949648-B2 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-27 — — US disclosed
EP-1528052-A1 Process for the production of 4-amino-3,5-dichlorobenzotrifluoride with high purity commercial products being obtained in parallel FINCHIMICA S.p.A. (IT) 2005-05-04 — — EP disclosed
US-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-10-02 — — US disclosed
EP-1270572-A1 CONDENSED PYRAZOLE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-01-02 — — EP disclosed
US-4191711-A Process for the preparation of certain nuclear chlorinated benzotrichlorides BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 — — US disclosed
US-4191711-A Process for the preparation of certain nuclear chlorinated benzotrichlorides BAYER AKTIENGESELLSCHAFT (DE) 1980-03-04 — — US disclosed
US-4046656-A Photochlorination process for methyl aromatic compounds THE DOW CHEMICAL COMPANY (US) 1977-09-06 — — US disclosed
US-3976769-A INSECTICIDE AIRWICK INDUSTRIES, INC. (US) 1976-08-24 — — 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-20030187014-A1 Condensed pyrazole derivatives, process for producing the same and use thereof PTGS1, PTGIS, IL5 TSHR 3782/4885CYP3A4 48/4885MAPK1 877/4885

“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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