SCHEMBL3754849

SCHEMBL3754849

[CH2]n1cc(C)c(-c2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 6/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
PKM P14618 1/20 0.39
PDE10A Q9Y233 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 2/20 0.37
USP2 O75604 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
NSD3 Q9BZ95 1/20 0.37
NPC1 O15118 2/20 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
SCHEMBL5541724 0.79 PTGIR (0.45) PTGS2KDM4EMEN1KMT2AALDH1A1
SCHEMBL3754852 0.78 KMT2A (0.45) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL7852486 0.74 PTGS2 (0.57) PTGS2KDM4EMEN1KMT2ARAB9A
SCHEMBL19088674 0.74 PDE1A (0.45) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL19121456 0.73 SMN1; SMN2 (0.40) PTGS1PTGS2KDM4EMEN1KMT2A
SCHEMBL3761893 0.72 DRD2 (0.42) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL28894121 0.69 KDM4E (0.38) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL11623223 0.68 KMT2A (0.41) KDM4EMEN1KMT2ARAB9AALDH1A1
SCHEMBL11621957 0.68 KMT2A (0.52) PTGS2KDM4EMEN1KMT2ARAB9A
SCHEMBL3360311 0.67 KDM4E (0.43) PTGS2KDM4EMEN1KMT2ARAB9A

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 PTGS1 3276/4885PTGS2 3255/4885KDM4E 856/4885

“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.