SCHEMBL4241835

SCHEMBL4241835

CC(C)(C)[Si](C)(C)OCCc1nc2cc(CO)ccc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
KMT2A Q03164 4/20 0.34
RAD52 P43351 1/20 0.34
UBE2N P61088 1/20 0.34
POLB P06746 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
DUT P33316 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
GFER P55789 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CBFB Q13951 3/20 0.32
ALDH1A1 P00352 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
SCHEMBL5029730 0.90 RAD52 (0.45) RHEBKMT2ARAD52UBE2NPOLB
SCHEMBL4240656 0.88 KMT2A (0.36) RHEBKMT2APOLBNPC1RAB9A
SCHEMBL4241828 0.80 CYP2C9 (0.35) CYP1A2CYP2C9KMT2APOLBDUT
SCHEMBL9675388 0.79 POLB (0.55) CYP1A2CYP2C9POLBNPC1RAB9A
SCHEMBL4243154 0.79 MAPT (0.47) RHEBCYP1A2CYP2C9KMT2ANPC1
SCHEMBL11368772 0.77 KMT2A (0.46) RHEBKMT2ARAD52UBE2NPOLB
SCHEMBL10578214 0.75 POLB (0.45) KMT2ARAD52POLBMAPTMEN1
SCHEMBL11372794 0.74 DDAH1 (0.54) RHEBKMT2APOLBNPC1RAB9A
SCHEMBL5864417 0.72 POLB (0.60) CYP1A2CYP2C9POLBNPC1RAB9A
SCHEMBL10955417 0.71 TDP1 (0.41) RHEBPOLBNPC1RAB9AMAPT

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 RHEB 899/4885CYP1A2 4603/4885CYP2C9 4880/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA RHEB 2747/4885CYP1A2 2530/4885CYP2C9 1814/4885

“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.