Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL19252767

CC(C)(C)c1ccccc1.c1ccc2c(c1)ncc1cc[nH]c12

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GPR3 P46089 1/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
HTR6 P50406 2/20 0.40
ELANE P08246 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
TP53 P04637 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PRSS1 P07477 1/20 0.38
RAD52 P43351 1/20 0.38
SMARCA2 P51531 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL455351 0.86 KDM4E (0.53) KDM4EGPR3TNKS2HTR6SMN1; SMN2
Iodide SCHEMBL4717590 0.85 KDM4E (0.52) KDM4EGPR3TNKS2HTR6SMN1; SMN2
Hydrochloric Acid SCHEMBL3881151 0.85 KDM4E (0.52) KDM4EGPR3TNKS2HTR6SMN1; SMN2
SCHEMBL27673186 0.85 KDM4E (0.52) KDM4EGPR3TNKS2HTR6SMN1; SMN2
Toluene SCHEMBL19252764 0.84 KDM4E (0.44) KDM4EGPR3TNKSTNKS2HTR6
Hydrochloric Acid SCHEMBL27669383 0.83 KDM4E (0.50) KDM4EGPR3TNKS2HTR6SMN1; SMN2
Hydrochloric Acid SCHEMBL28761791 0.83 KDM4E (0.50) KDM4EGPR3TNKS2HTR6SMN1; SMN2
Acetic Acid SCHEMBL18155003 0.82 KDM4E (0.43) KDM4EGPR3HTR6ELANETP53
Chlorobenzene SCHEMBL19252790 0.81 HDAC6 (0.46) KDM4EGPR3TNKSTNKS2HTR6
Trifluoroacetic Acid SCHEMBL3937089 0.79 KDM4E (0.40) KDM4EGPR3HTR6ELANE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF UNIVERSITE DE MONTPELLIER (FR) 2017-08-24 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-20170239237-A1 PYRROLOQUINOLINE DERIVATIVES AS 5-HT6 ANTAGONISTS, PREPARATION METHOD AND USE THEREOF HTR6, HTR2C, HTR3B KDM4E 1278/4885GPR3 294/4885TNKS 2402/4885

“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.