SCHEMBL4458219

SCHEMBL4458219

Fc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2A6 P11509 2/20 0.36
AHR P35869 5/20 0.35
TSHR P16473 2/20 0.33
CYP1A2 P05177 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 2/20 0.32
CYP1B1 Q16678 1/20 0.32
TP53 P04637 1/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
HTR2B P41595 2/20 0.32
LMNA P02545 1/20 0.32
PNMT P11086 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
SCHEMBL29638160 0.82 USP2 (0.41) CYP3A4MAPK1CYP2A6AHRTSHR
SCHEMBL20918502 0.82 USP2 (0.41) CYP3A4MAPK1CYP2A6AHRTSHR
SCHEMBL8755324 0.81 TNF (0.38) CYP3A4MAPK1CYP2A6TSHRCYP1A2
SCHEMBL1756509 0.81 CYP3A4 (0.38) CYP3A4MAPK1CYP2A6AHRTSHR
SCHEMBL5411553 0.77 CYP3A4 (0.59) CYP3A4MAPK1TSHRHPGDTDP1
SCHEMBL2013956 0.77 CYP3A4 (0.35) CYP3A4MAPK1CYP2A6AHR
SCHEMBL159338 0.77 TSHR (0.39) CYP3A4MAPK1TSHRHPGDTDP1
SCHEMBL7624160 0.77 ALDH1A1 (0.37) CYP3A4MAPK1HTR2AHTR2CHTR2B
SCHEMBL3342311 0.77 HTR2A (0.44) CYP3A4MAPK1CYP2A6AHRHTR2A
SCHEMBL911858 0.77 CYP3A4 (0.59) CYP3A4MAPK1TSHRHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 109/4885MAPK1 2531/4885CYP2A6 316/4885

“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.