SCHEMBL18701569

SCHEMBL18701569

CC(C)(C)c1ncc(C(C)(C)C)c(O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
ATP2A2 P16615 1/20 0.36
ATP2A3 Q93084 1/20 0.36
CA2 P00918 4/20 0.33
CA1 P00915 2/20 0.33
TYR P14679 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DHFR P00374 1/20 0.32
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30
MIF P14174 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL10361590 0.80 KDM4E (0.32) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL12203156 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL18711835 0.78 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL15218662 0.77
SCHEMBL10996689 0.77 MEN1 (0.31) ALDH1A1MAPTDHFR
SCHEMBL18701502 0.77 NUDT1 (0.33)
SCHEMBL20652361 0.77 ALDH1A1 (0.34) ALDH1A1SMN1; SMN2ALOX15KDM4ECYP1A2
SCHEMBL18073610 0.76
SCHEMBL4754840 0.76
SCHEMBL24033682 0.74 ALOX5AP (0.30) ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9963462-B2 Sepiapterin reductase inhibitors MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2018-05-08 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 US disclosed
US-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-04-06 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-20170096435-A1 SEPIAPTERIN REDUCTASE INHIBITORS SPR, QDPR, SRR ALDH1A1 374/4885SMN1; SMN2 2655/4885ALOX15 691/4885

“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.