Tert-Butylbenzene

Tert-Butylbenzene

SCHEMBL5269369

CC(C)(C)c1ccccc1.CC(C)(C)c1ccccc1.Oc1cccc(O)c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.55
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
CA12 O43570 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA14 Q9ULX7 2/20 0.55
CA5A P35218 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA5B Q9Y2D0 1/20 0.55
TYR P14679 1/20 0.52
ESR1 P03372 4/20 0.50
ESR2 Q92731 4/20 0.50
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
UQCRB P14927 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRB2 P47870 1/20 0.46
HSD17B1 P14061 1/20 0.45

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
Phenol SCHEMBL7192832 0.89 ALDH1A1 (0.54) CYP3A4ALDH1A1LMNACA12CA2
Tert-Butylbenzene SCHEMBL27389999 0.88 LMNA (0.67) CYP3A4ALDH1A1LMNACA12CA2
Tert-Butylbenzene SCHEMBL27815663 0.88 ACHE (0.65) CYP3A4ALDH1A1LMNATYRESR1
Phenol SCHEMBL27853938 0.86 ESR1 (0.57) CYP3A4ALDH1A1LMNACA12CA2
Tert-Butylbenzene SCHEMBL27701218 0.86 LMNA (0.64) CYP3A4ALDH1A1LMNACA12CA2
SCHEMBL29427097 0.86 HDAC4 (0.57) CYP3A4ALDH1A1LMNACA12CA2
SCHEMBL50933 0.86 HDAC4 (0.57) CYP3A4ALDH1A1LMNACA12CA2
SCHEMBL27509669 0.84 HDAC4 (0.55) CYP3A4ALDH1A1LMNACA12CA2
Tert-Butylbenzene SCHEMBL27837703 0.84 LMNA (0.61) CYP3A4ALDH1A1LMNACA12CA2
Hydrochloric Acid SCHEMBL7071175 0.84 HDAC4 (0.55) CYP3A4ALDH1A1LMNACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176252-B2 Solid melt blended phosphite composites DOVER CHEMICAL CORPORATION (US) 2007-02-13 US disclosed
US-20040164279-A1 Solid melt blended phosphite composites WELLS FARGO BANK, NATIONAL ASSOCIATION 2004-08-26 US disclosed
US-6369267-B1 RADIATION RESISTANCE TO ULTRAVIOLET RADIATION CIBA SPECIALTY CHEMICALS CORPORATION 2002-04-09 US disclosed
US-5097006-A Polyesters U C B S.A. (BE) 1992-03-17 US disclosed
US-5075481-A Oxidation, heat, radiation resistance CIBA-GEIGY CORPORATION (US) 1991-12-24 US disclosed
US-4972009-A PHOTOSTABILIZERS FOR POLYMERS, RADIATION RESISTANCE CIBA-GEIGY CORPORATION (US) 1990-11-20 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-20040164279-A1 Solid melt blended phosphite composites PHOSPHO1, MTAP, INPPL1 CYP3A4 2224/4885ALDH1A1 2924/4885LMNA 3340/4885

“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.