SCHEMBL4557570

SCHEMBL4557570

Fc1cc(Cl)c(Cl)c(Cl)c1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.59
HPGD P15428 5/20 0.46
HSD17B10 Q99714 5/20 0.46
TSHR P16473 4/20 0.46
HSP90AA1 P07900 1/20 0.46
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.39
AHR P35869 6/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CASP1 P29466 1/20 0.36
AKR1B1 P15121 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32
GRIN2D O15399 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
SCHEMBL9358268 0.83 CYP3A4 (0.41) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL1756502 0.79 CYP3A4 (0.47) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL9774781 0.79 CYP3A4 (0.40) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL11876093 0.79 GRIN2D (0.34) CYP3A4HSD17B10ALDH1A1KDM1AKDM1B
Pentachlorobenzene SCHEMBL183144 0.75 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRHSP90AA1
Pentachlorobenzene SCHEMBL11455164 0.75 CYP3A4 (1.00) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL10982689 0.75 CYP3A4 (0.36) CYP3A4HPGDHSD17B10TSHRALDH1A1
SCHEMBL11716199 0.75 HSD17B10 (0.65) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL28675338 0.75 CYP3A4 (0.43) CYP3A4HPGDHSD17B10TSHRHSP90AA1
SCHEMBL10898146 0.75 HSD17B10 (0.59) CYP3A4HPGDHSD17B10TSHRHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115611717-B Preparation method of polyfluorobenzaldehyde 上海万溯药业有限公司 2024-06-28 CN claimed
CN-115611717-B Preparation method of polyfluorobenzaldehyde 上海万溯药业有限公司 2024-06-28 CN disclosed
US-7595426-B2 Method for the production of 1,3,5-trifluoro-2,4,6-trichlorobenzene from fluorobenzene derivatives BASF AKTIENGESELLSCHAFT (DE) 2009-09-29 US disclosed
US-20080214878-A1 Method For The Production Of 1,3,5-Trifluoro-2,4,6-Trichlorobenzene From Fluorobenzene Derivatives BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 US disclosed
EP-1874715-A1 METHOD FOR THE PRODUCTION OF 1,3,5-TRIFLUORO-2,4,6-TRICHLOROBENZENE FROM FLUOROBENZENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2008-01-09 EP disclosed
WO-2006111583-A1 METHOD FOR THE PRODUCTION OF 1,3,5-TRIFLUORO-2,4,6-TRICHLOROBENZENE FROM FLUOROBENZENE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2006-10-26 WO disclosed
EP-0270965-B1 PROCESS FOR THE PREPARATION OF SUBSTITUTED 3,5-DICHLORO-2,4-DIFLUOROBENZENES BAYER AG (DE) 1992-09-02 EP disclosed
EP-0270964-B1 PROCESS FOR OBTAINING SUBSTITUTED FLUOROBENZENES BAYER AG (DE) 1992-07-08 EP disclosed
EP-0270970-B1 PROCESS FOR PREPARING 3,5 DICHLORO-2,4 DIFLUORONITROBENZENE BAYER AG (DE) 1992-03-18 EP disclosed
US-5081288-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3,5-DICHLORO-2,4-DIFLUORO-BENZENES BAYER AKTIENGESELLSCHAFT (DE) 1992-01-14 US disclosed
US-4868347-A SOLVENT EXTRACTION BAYER AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
EP-0270970-A2 Process for preparing 3,5 dichloro-2,4 difluoronitrobenzene BAYER AG (DE) 1988-06-15 EP disclosed
EP-0270965-A2 Process for the preparation of substituted 3,5-dichloro-2,4-difluorobenzenes BAYER AG (DE) 1988-06-15 EP disclosed
EP-0270964-A2 Process for obtaining substituted fluorobenzenes BAYER AG (DE) 1988-06-15 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-20080214878-A1 Method For The Production Of 1,3,5-Trifluoro-2,4,6-Trichlorobenzene From Fluorobenzene Derivatives FLNB, AFF1, AFF2 CYP3A4 109/4885HPGD 1547/4885HSD17B10 422/4885

“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.