SCHEMBL7077947

SCHEMBL7077947

Cc1c(F)cc(-c2ccccc2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.40
ESR2 Q92731 1/20 0.39
BACE1 P56817 1/20 0.39
PTGS1 P23219 4/20 0.39
MEN1 O00255 2/20 0.39
PTGS2 P35354 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
FABP2 P12104 1/20 0.39
TSHR P16473 1/20 0.39
AKR1C4 P17516 1/20 0.39
ADRA2B P18089 1/20 0.39
CHRM3 P20309 1/20 0.39
HTR2C P28335 1/20 0.39
DRD3 P35462 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9320686 0.83 PTGS2 (0.50) BACE1PTGS1MEN1PTGS2KMT2A
SCHEMBL4603480 0.82 BACE1 (0.42) DHODHBACE1PTGS1MEN1PTGS2
SCHEMBL16934070 0.81 DHODH (0.42) DHODHESR2BACE1PTGS1MEN1
SCHEMBL21199977 0.81 ALOX5AP (0.42) DHODHBACE1PTGS1MEN1PTGS2
SCHEMBL4934640 0.79 SENP1 (0.42) ESR2CYP2C9CYP2C19RPS6KA3
SCHEMBL25221380 0.78 BACE1 (0.39) BACE1PTGS1MEN1PTGS2KMT2A
SCHEMBL10985670 0.78 GRIN1 (0.40) ESR2PTGS1MEN1PTGS2KMT2A
Methane SCHEMBL27625982 0.78 BACE1 (0.39) DHODHBACE1PTGS1MEN1PTGS2
SCHEMBL25275054 0.78 BACE1 (0.39) DHODHBACE1PTGS1MEN1PTGS2
SCHEMBL3726533 0.78 DHODH (0.43) DHODHESR2BACE1PTGS1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030149272-A1 Method for preparing a polyaromatic compound RHODIA CHIMIE (FR) 2003-08-07 US claimed
US-6590100-B2 Reacting an aromatic compound bearing a leaving group and an arylboronic acid and/or its derivatives in the presence of a base and an effective amount of a nickel catalyst RHODIA CHIMIE (FR) 2003-07-08 US claimed
US-20020173652-A1 Process for preparing a polyaromatic compound SHASUN PHARMA SOLUTIONS, INC. 2002-11-21 US claimed
US-4870097-A ANALGESICS, CENTRAL NERVOUS SYSTEM DISORDERS ROTTA RESEARCH LABORATORIUM S.P.A. (IT) 1989-09-26 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 (2 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-20020173652-A1 Process for preparing a polyaromatic compound PAH, ALK, ITPA DHODH 594/4885ESR2 2977/4885BACE1 3508/4885
US-20030149272-A1 Method for preparing a polyaromatic compound PCNA, PAH, AOC1 DHODH 497/4885ESR2 3024/4885BACE1 2499/4885

“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.