SCHEMBL19919286

SCHEMBL19919286

CC(C)COc1ccc(OCC(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
HPGD P15428 3/20 0.45
POLB P06746 3/20 0.45
XBP1 P17861 1/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 3/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
ALOX12 P18054 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 5/20 0.40
NR1H4 Q96RI1 2/20 0.39
S1PR1 P21453 1/20 0.39
PDK2 Q15119 1/20 0.38

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
SCHEMBL15383218 0.91 HIF1A (0.49) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL15383224 0.85 TRIM24 (0.47) KDM4ELMNATSHRKMT2ANR1H4
SCHEMBL13141341 0.84 NQO1 (0.48) MAPTHPGDKDM4EALDH1A1TSHR
SCHEMBL123415 0.84 MAPT (0.55) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL24498793 0.79 HIF1A (0.56) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL6123644 0.79 SMN1; SMN2 (0.52) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL11951583 0.79 KMT2A (0.45) POLBKDM4EALDH1A1CYP2C9CYP2C19
SCHEMBL17430828 0.78 LMNA (0.45) MAPTALDH1A1CYP2C19LMNATSHR
SCHEMBL20851318 0.78 MAPT (0.58) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL13316785 0.76 MAPT (0.42) MAPTHPGDPOLBXBP1KDM4E

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-11312733-B2 Silylated derivatives of aromatic heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2022-04-26 US disclosed
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles CALIFORNIA INSTITUTE OF TECHNOLOGY 2021-02-18 US disclosed
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS CALIFORNIA INSTITUTE OF TECHNOLOGY 2018-03-01 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-11312733-B2 Silylated derivatives of aromatic heterocycles KCNH1, KCNH3, HNRNPH3 MAPT 4150/4885HPGD 1205/4885POLB 3358/4885
US-20180057514-A1 SILYLATION OF AROMATIC HETEROCYCLES BY EARTH ABUNDANT TRANSITION-METAL-FREE CATALYSTS TEC, AURKA, TYR MAPT 1022/4885HPGD 2419/4885POLB 1834/4885
US-20210047348-A1 Silylated Derivatives Of Aromatic Heterocycles KCNH1, KCNH3, HNRNPH3 MAPT 4150/4885HPGD 1205/4885POLB 3358/4885

“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.