SCHEMBL4097760

SCHEMBL4097760

CC(C)(C)C(O)(Cn1cncn1)Oc1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSP90AA1 P07900 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 2/20 0.49
TP53 P04637 2/20 0.49
TDP1 Q9NUW8 1/20 0.46
CYP19A1 P11511 5/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
STS P08842 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39

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
SCHEMBL4095471 0.84 ALDH1A1 (0.60) MAPTMEN1KMT2AKDM4EHSP90AA1
SCHEMBL10545905 0.84 MAPT (0.58) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10851596 0.81 MAPT (0.60) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10568256 0.78 MAPT (0.54) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10515326 0.78 MAPT (0.51) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL7180204 0.78 MAPT (0.56) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10808470 0.78 MAPT (0.56) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10408611 0.77 MAPT (0.53) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10628712 0.77 MAPT (0.53) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL10928165 0.76 MEN1 (0.51) MAPTLMNAMEN1KMT2AKDM4E

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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides BASF AKTIENGESSELLSCHFT (DE) 2009-08-13 US disclosed
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides BASF AKTIENGESELLSCHAFT (DE) 2009-02-12 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 (2 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-20090203523-A1 Fungicidal Mixtures Made From 1-Methylpyrazol-4-Ylcarboxanilides CTRL, CYP4X1, SNU13 MAPT 3668/4885LMNA 2015/4885MEN1 792/4885
US-20090042724-A1 Fungicidal mixtures based on 2,4-disubstituted n-biphenylpyrazolecarboxamides CBR3, CBR1, SNU13 MAPT 4705/4885LMNA 3266/4885MEN1 2667/4885

“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.