SCHEMBL21138351

SCHEMBL21138351

CC(C)(C)CC(C)(C)c1ccc(C(C)(C)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.68
CYP3A4 P08684 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
CYP2D6 P10635 2/20 0.42
HIF1A Q16665 2/20 0.42
ESR1 P03372 3/20 0.39
ESR2 Q92731 1/20 0.39
MDH1 P40925 4/20 0.39
MDH2 P40926 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
PGR P06401 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
MAPT P10636 2/20 0.38
DRD1 P21728 2/20 0.38
PTGS1 P23219 2/20 0.38
SLC6A2 P23975 2/20 0.38
PDE4A P27815 2/20 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
SCHEMBL10141 0.81 SHBG (1.00) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL31282065 0.81 SHBG (1.00) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL10515698 0.80 SHBG (0.67) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL10785821 0.79 SHBG (0.95) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL22773183 0.79 SHBG (0.95) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Hydrogen Sulfide SCHEMBL10824257 0.79 SHBG (0.95) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL11543850 0.79 SHBG (0.59) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
SCHEMBL196799 0.79 MEN1 (0.48) SHBGCYP3A4ESR1ESR2MEN1
SCHEMBL8768818 0.78 SHBG (0.64) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A
Ethylene SCHEMBL8593493 0.77 SHBG (0.91) SHBGCYP3A4SMN1; SMN2CYP2D6HIF1A

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-11181823-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-11-23 US disclosed
US-10345700-B2 Negative-tone resist compositions and multifunctional polymers therein INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-07-09 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-11181823-B2 Resist composition and patterning process BICRA, HNRNPU, INSR SHBG 3234/4885CYP3A4 4637/4885SMN1; SMN2 2157/4885

“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.