SCHEMBL3755105

SCHEMBL3755105

[CH2]Oc1ccc(C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ DRD2 P14416 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ HTR2A P28223 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ CHEK2 O96017 1/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 5/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL3757525 0.82 MCL1 (0.50) HTR2ASLC6A4KCNH2SMN1; SMN2NPC1
SCHEMBL14396803 0.81 HTR2A (0.51) CYP3A4DRD2DRD4DRD3HTR2A
SCHEMBL2205828 0.79 MAPT (0.50) CYP3A4DRD2DRD4DRD3HTR2A
SCHEMBL3033134 0.78 TDP1 (0.45) DRD2DRD4DRD3HTR2ASLC6A4
SCHEMBL1145315 0.78 HSP90AA1 (0.48) CYP3A4HTR2ASLC6A4KCNH2SMN1; SMN2
SCHEMBL1555845 0.77 CYP3A4 (0.42) CYP3A4DRD2DRD4DRD3HTR2A
SCHEMBL25798448 0.76 CYP3A4 (0.45) CYP3A4DRD2DRD4DRD3HTR2A
SCHEMBL177455 0.76 CYP3A4 (0.45) CYP3A4DRD2DRD4DRD3HTR2A
SCHEMBL14649910 0.76 HSP90AA1 (0.57) CYP3A4DRD2DRD4DRD3HTR2A
SCHEMBL8736417 0.74 TEAD4 (0.48) CYP3A4DRD2DRD4DRD3HTR2A

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 CYP3A4 55/4885DRD2 2938/4885DRD4 1800/4885

“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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