SCHEMBL3754844

SCHEMBL3754844

[CH2]Cc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ACLY P53396 1/20 0.39
CYP2A6 P11509 1/20 0.39
MAPK1 P28482 2/20 0.37
S100A4 P26447 1/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP3A4 P08684 1/20 0.37
HIF1A Q16665 1/20 0.37
CSNK2A1 P68400 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
SIGMAR1 Q99720 1/20 0.37

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
SCHEMBL9869813 0.88 AHR (0.41) FFAR1FFAR4CYP1A2ACLYCYP2A6
SCHEMBL21507851 0.82 PTGDR2 (0.50) PTGDR2FFAR1FFAR4CYP1A2KMT2A
SCHEMBL5429037 0.82 PTGDR2 (0.46) PTGDR2FFAR1FFAR4CYP1A2KMT2A
SCHEMBL15959357 0.81 PTGDR2 (0.49) PTGDR2FFAR1FFAR4CYP1A2KMT2A
SCHEMBL11712781 0.80 CYP2A6 (0.46) CYP1A2KDM4ECYP2A6CYP3A4NPSR1
SCHEMBL3119926 0.77 DPP4 (0.52) KMT2ACYP2A6MAPK1HPGDHSD17B10
SCHEMBL5429296 0.77 PTGDR2 (0.56) PTGDR2FFAR1FFAR4KDM4EACLY
SCHEMBL9652976 0.76 CYP2C19 (0.47) PTGDR2FFAR1FFAR4CYP1A2KMT2A
SCHEMBL1566815 0.74 DPP4 (0.60) KMT2ACYP2A6MAPK1HPGDHSD17B10
SCHEMBL5050876 0.74 CYP1A2 (0.52) PTGDR2CYP1A2KMT2AMEN1RXFP1

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT PTGDR2 4729/4885FFAR1 4137/4885FFAR4 4442/4885

“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.