SCHEMBL3759367

SCHEMBL3759367

[CH2]Oc1ccc(Cl)cc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.57
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGER1 P34995 2/20 0.40
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CYP2A6 P11509 1/20 0.39
SLC9A1 P19634 1/20 0.39
SLC6A9 P48067 1/20 0.38
MAPK1 P28482 1/20 0.37
S100A4 P26447 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
METAP2 P50579 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
SCHEMBL29772176 0.84 PTGDR2 (0.60) PTGDR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL27524115 0.84 PTGDR2 (0.60) PTGDR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL2795889 0.82 PTGDR2 (0.58) PTGDR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL2795887 0.82 PTGDR2 (0.58) PTGDR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL2795886 0.81 PTGDR2 (0.57) PTGDR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL29634149 0.81 PTGDR2 (0.57) PTGDR2KMT2AMEN1RXFP1KDM4E
SCHEMBL3759371 0.81 PTGDR2 (0.57) PTGDR2KMT2AMEN1RXFP1KDM4E
SCHEMBL2093992 0.80 SLC6A9 (0.44) PTGDR2KMT2AMEN1RXFP1KDM4E
SCHEMBL9514678 0.78 PTGDR2 (0.54) PTGDR2CYP1A2CYP2C9CYP3A4CYP2C19
SCHEMBL1680713 0.77 MAPK1 (0.42) CYP2A6MAPK1ALDH1A1TP53HPGD

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 4729/4885CYP1A2 22/4885CYP2C9 138/4885

“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.