SCHEMBL20760520

SCHEMBL20760520

CC(C)(C)c1ccc(C(C)(C)O)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.34
TYR P14679 1/20 0.34
CYP19A1 P11511 2/20 0.34
GCK P35557 2/20 0.34
GCKR Q14397 2/20 0.34
TNKS O95271 2/20 0.34
PARP1 P09874 2/20 0.34
TNKS2 Q9H2K2 2/20 0.34
ALOX5AP P20292 1/20 0.34
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL701703 0.84 TSHR (0.46) TSHRLMNATYRALDH1A1NPC1
SCHEMBL29754040 0.84 TSHR (0.46) TSHRLMNATYRALDH1A1NPC1
SCHEMBL2253745 0.83 TRPV4 (0.50) GCKGCKRMEN1KMT2A
SCHEMBL2733258 0.83 LMNA (0.39) TSHRLMNATYRCYP19A1GCK
SCHEMBL21298818 0.78 TSHR (0.36) TSHRLMNATYRALDH1A1NPC1
SCHEMBL21728746 0.78 TSHR (0.36) TSHRLMNATYRALDH1A1NPC1
SCHEMBL20712779 0.78 TSHR (0.36) TSHRLMNATYRALDH1A1NPC1
SCHEMBL803453 0.78 KMT2A (0.44) TSHRLMNAALDH1A1MAPTRAB9A
SCHEMBL14349601 0.78 PDE2A (0.38) TSHRLMNAGCKGCKRALDH1A1
SCHEMBL15614035 0.78 TRPV4 (0.39) TSHRGCKGCKRALOX5APALDH1A1

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-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-10654828-B2 Indole derivatives and uses thereof NOVARTIS AG (CH) 2020-05-19 US disclosed
US-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2019-02-21 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 (3 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-20190055219-A1 INDOLE DERIVATIVES AND USES THEREOF MYLK2, MYOF, MUSK HSD11B1 2383/4885TSHR 2411/4885LMNA 1997/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 HSD11B1 1419/4885TSHR 4486/4885LMNA 3233/4885
US-10654828-B2 Indole derivatives and uses thereof MYLK2, MYOF, MUSK HSD11B1 2383/4885TSHR 2411/4885LMNA 1997/4885

“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.