SCHEMBL5837003

SCHEMBL5837003

CC(C)C(C)(C)c1ccccc1N.[LiH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GAA P10253 2/20 0.37
TDP1 Q9NUW8 3/20 0.34
ALDH1A1 P00352 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 4/20 0.32
ADRA2B P18089 1/20 0.32
PTGS1 P23219 1/20 0.32
PIK3CA P42336 1/20 0.32
RIPK1 Q13546 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CYP2C9 P11712 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31

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
SCHEMBL10409249 0.98 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL1256211 0.80 CYP3A4 (0.39) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL895143 0.74 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL70170 0.74 TSHR (0.50) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2202080 0.74 CYP3A4 (0.47) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Bromide SCHEMBL15303887 0.72 TSHR (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Methane SCHEMBL27563519 0.72 TSHR (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Fluoride SCHEMBL7548973 0.72 TSHR (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL4706664 0.72 CYP3A4 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Water SCHEMBL7548765 0.72 TSHR (0.48) CYP3A4ALOX15CASP1CASP7SMN1; SMN2

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-7105690-B2 Method for producing transition metal compounds and their use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-09-12 US disclosed
US-20030191334-A1 Method for producing transition metal compounds and their use for the polymerization of olefins BASELL POLYPROPYLEN GMBH (DE) 2003-10-09 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-20030191334-A1 Method for producing transition metal compounds and their use for the polymerization of olefins PPOX, PORCN, FASN CYP3A4 123/4885ALOX15 47/4885CASP1 3852/4885

“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.