SCHEMBL3765889

SCHEMBL3765889

[CH2]Cc1ccc(F)cc1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.37
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
NR3C2 P08235 1/20 0.36
MMP1 P03956 4/20 0.35
ACHE P22303 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
MAOB P27338 1/20 0.33
OPRL1 P41146 1/20 0.33
TRPC5 Q9UL62 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
Formaldehyde SCHEMBL28284867 0.80 P2RX7 (0.39) P2RX7NR3C2MMP1KDM5AKDM4C
SCHEMBL7901204 0.79 P2RX7 (0.41) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL2475943 0.77 MPO (0.44) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL30303044 0.77 MAPK14 (0.40) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL30849549 0.77 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL1371586 0.77 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL13787148 0.77 IDO1 (0.41) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL2476555 0.77 MAPK14 (0.40) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL14533298 0.77 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2MMP1
SCHEMBL4257563 0.77 P2RX7 (0.37) P2RX7IDO1AGXTNR3C2MMP1

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 P2RX7 3815/4885IDO1 753/4885AGXT 318/4885

“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.