SCHEMBL1756502

SCHEMBL1756502

Fc1cc(Cl)c(Cl)c(Cl)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.47
ALDH1A1 P00352 2/20 0.38
HPGD P15428 5/20 0.38
HSD17B10 Q99714 5/20 0.38
TSHR P16473 4/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPK1 P28482 1/20 0.38
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
CASP1 P29466 1/20 0.35
AHR P35869 7/20 0.35
AKR1B1 P15121 1/20 0.32
HTR3E A5X5Y0 1/20 0.32
HTR3B O95264 1/20 0.32
HTR3A P46098 1/20 0.32
HTR3D Q70Z44 1/20 0.32
HTR3C Q8WXA8 1/20 0.32
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
CES2 O00748 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
SCHEMBL1756490 0.82 CYP3A4 (0.40) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL4557570 0.79 CYP3A4 (0.59) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL9644567 0.79 CYP3A4 (0.59) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL2931707 0.78 CA1 (0.38) CYP3A4ALDH1A1CES2CES1GRIN2D
SCHEMBL9774781 0.77 CYP3A4 (0.40) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL11876093 0.77 GRIN2D (0.34) CYP3A4ALDH1A1HSD17B10KDM1AKDM1B
SCHEMBL17219203 0.76 CA1 (0.36) CYP3A4ALDH1A1HPGDHSD17B10TSHR
SCHEMBL27850940 0.76 POLB (0.32)
SCHEMBL1042005 0.73 KDM1A (0.32) ALDH1A1KDM1AKDM1BCES2CES1
SCHEMBL11036565 0.72 CYP3A4 (0.43) CYP3A4ALDH1A1HPGDHSD17B10TSHR

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
US-3944494-A Stabilization of trichlorodifluoro benzenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-03-16 US claimed
US-7943257-B2 Electrolyte solvent and rechargeable lithium battery SAMSUNG SDI CO., LTD. (KR) 2011-05-17 US disclosed
US-20100104949-A1 Electrolyte and rechargeable lithium battery YAMAGUCHI TAKITARO 2010-04-29 US 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-0136683-B1 FLUOROCHLOROHYDROCARBON COMPOSITIONS DAIKIN INDUSTRIES, LTD. (JP) 1991-12-04 EP disclosed
US-5041674-A Chlorinating 1-chloro-3,5-difluorobenzene, nitrating and reducing DOWELANCO (US) 1991-08-20 US disclosed
US-4009576-A Regenerator for rotary Rankine cycle engines E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-03-01 US disclosed
US-3950950-A Rotary Rankine engine powered electric generating apparatus E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-04-20 US disclosed
US-3944494-A Stabilization of trichlorodifluoro benzenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-03-16 US disclosed
US-3944494-A Stabilization of trichlorodifluoro benzenes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-03-16 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-20080214878-A1 Method For The Production Of 1,3,5-Trifluoro-2,4,6-Trichlorobenzene From Fluorobenzene Derivatives FLNB, AFF1, AFF2 CYP3A4 109/4885ALDH1A1 1093/4885HPGD 1547/4885

“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.