SCHEMBL20798945

SCHEMBL20798945

CC(C)(C)c1cc2oc1cc2C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
CA2 P00918 4/20 0.38
CA1 P00915 2/20 0.38
TYR P14679 2/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 2/20 0.33
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
MIF P14174 1/20 0.33
HTT P42858 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP2C19 P33261 1/20 0.32

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
SCHEMBL7608372 0.89 CYP1A2 (0.37) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL18595811 0.71 ALDH1A1 (0.33) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL17344317 0.70
SCHEMBL10455406 0.70 HPGD (0.37) ALDH1A1ALOX15KDM4ECA2CA1
SCHEMBL7132801 0.68 ALDH1A1 (0.53) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL6897302 0.67 MEN1 (0.36) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL14506378 0.67 ALDH1A1 (0.36) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT
SCHEMBL24910475 0.65 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EPOLB
SCHEMBL22645861 0.65 DYRK1A (0.42) ALDH1A1SMN1; SMN2MAPTKDM4ELMNA
SCHEMBL25419221 0.65 ALOX15 (0.38) ALDH1A1ALOX15SMN1; SMN2CYP1A2MAPT

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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 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 (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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA ALDH1A1 2030/4885ALOX15 4587/4885SMN1; SMN2 2565/4885

“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.