SCHEMBL19366642

SCHEMBL19366642

Cc1cc(C)c2c(C)c(C)n(C(C)C)c2n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ATM Q13315 1/20 0.34
CRHR1 P34998 1/20 0.33
MAPT P10636 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
SCHEMBL13170602 0.70
SCHEMBL19366633 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TSHRATMMAPT
SCHEMBL12170337 0.62 ALDH1A1 (0.31) ALDH1A1
SCHEMBL13180796 0.61 ALDH1A1 (0.33) ALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL14084443 0.61 AAK1 (0.31) ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2757596 0.61 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL423531 0.60 MEN1 (0.60) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL19366625 0.58 DCTPP1 (0.36) ALDH1A1SMN1; SMN2TSHRATMMAPT
SCHEMBL19657080 0.58 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL13170606 0.58 KDM4E (0.38) ALDH1A1KDM4EMEN1KMT2ATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267710-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ARCUS BIOSCIENCES, INC. 2017-09-21 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-20170267710-A1 MODULATORS OF 5'-NUCLEOTIDASE, ECTO AND THE USE THEREOF ENTPD5, NT5C2, NT5E ALDH1A1 1449/4885SMN1; SMN2 3617/4885KDM4E 2414/4885

“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.