SCHEMBL3752325

SCHEMBL3752325

[CH2]Oc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2A6 P11509 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ AHR P35869 2/20 0.32
▸ CYP2D6 P10635 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL29536407 0.74 ALDH1A1 (0.50) MAPK1CYP3A4ALDH1A1KDM4EHSD17B10
SCHEMBL2355429 0.74 ALDH1A1 (0.50) MAPK1CYP3A4ALDH1A1KDM4EHSD17B10
SCHEMBL23387011 0.74 CYP3A4 (0.32) MAPK1CYP3A4ALDH1A1
SCHEMBL1322094 0.73 CYP1A2 (0.45) CYP2A6ALDH1A1KDM4ETDP1TSHR
SCHEMBL1047234 0.72 CYP3A4 (0.40) MAPK1CYP3A4CYP2A6AHRTDP1
SCHEMBL30335623 0.72 CYP3A4 (0.35) MAPK1CYP3A4CYP2A6ALDH1A1KDM4E
SCHEMBL15759423 0.71 CYP3A4 (0.34) MAPK1CYP3A4ALDH1A1KDM4EHSD17B10
SCHEMBL29368277 0.69 CYP3A4 (0.62) MAPK1CYP3A4CYP2A6ALDH1A1AHR
SCHEMBL348089 0.69 CYP3A4 (0.62) MAPK1CYP3A4CYP2A6ALDH1A1AHR
SCHEMBL8088179 0.69 CYP2D6 (0.37) MAPK1CYP3A4ALDH1A1CYP2D6SLC6A2

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 MAPK1 1845/4885CYP3A4 55/4885CYP2A6 279/4885

“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.

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