Isopropylbenzene

Isopropylbenzene

SCHEMBL4795495

CC(C)c1ccc(OO)cc1.CC(C)c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
ACP3 P15309 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
CNR2 P34972 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
UGT2B7 P16662 1/20 0.41
PTGS1 P23219 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
ACACB O00763 1/20 0.40

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
SCHEMBL16628 0.91 RAB9A (0.46) MEN1KMT2AHPGDXBP1RAB9A
SCHEMBL18614728 0.91 RAB9A (0.46) MEN1KMT2AHPGDXBP1RAB9A
Methyl Alcohol SCHEMBL7601547 0.89 RAB9A (0.44) MEN1KMT2AHPGDXBP1RAB9A
Bicarbonate SCHEMBL11150406 0.87 RAB9A (0.49) MEN1KMT2AFNTAFNTBHPGD
Isopropylbenzene SCHEMBL641735 0.84 ADRA2C (0.46) MEN1KMT2AHPGDXBP1LMNA
Formaldehyde SCHEMBL8074512 0.83 RAB9A (0.44) MEN1KMT2AHPGDXBP1RAB9A
Acetone SCHEMBL11207944 0.83 RAB9A (0.49) MEN1KMT2AHPGDXBP1RAB9A
SCHEMBL8636827 0.82 MAPK1 (0.55) MEN1KMT2AFNTAFNTBHPGD
Benzoyl Peroxide SCHEMBL2125048 0.82 LMNA (0.55) MEN1KMT2AFNTAFNTBHPGD
SCHEMBL9247881 0.82 HPGD (0.49) MEN1KMT2AFNTAFNTBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312404-A1 Novel diepoxides and epoxy resins PEWS R GARTH 2008-12-18 US disclosed
US-7462728-B2 Diepoxide derivatives of N,N*-disubstituted disulfonamides PEWS R GARTH 2008-12-09 US disclosed
US-7153925-B2 Condensation polymers from N, N*-disubstituted disulfonamides PEWS R GARTH 2006-12-26 US disclosed
US-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US disclosed
US-20060128924-A1 Novel condensation polymers from N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US disclosed
US-20060128978-A1 Diepoxide derivatives of N, N*-disubstituted disulfonamides PEWS R G 2006-06-15 US disclosed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 US disclosed
US-6670474-B2 Such as bis-1,2-(2-(2,3-epoxypropyl)phenoxy)ethane; chemical intermediates for formation of epoxy resins PEWS R GARTH (US) 2003-12-30 US disclosed
US-20020151731-A1 Novel epoxide derivatives of allylarylphenols PEWS R GARTH (US) 2002-10-17 US disclosed
EP-0008869-B1 PROCESS FOR THE PRODUCTION OF A PHENOL AND A CARBONYL COMPOUND BY THE CATALYSED DECOMPOSITION OF AN AROMATIC HYDROPEROXIDE BP Chemicals Limited (GB) 1983-03-02 EP disclosed
US-4246203-A Process for the production of a phenol and a carbonyl compound by the catalyzed decomposition of an aromatic hydroperoxide BP CHEMICALS LIMITED (GB) 1981-01-20 US disclosed
EP-0008869-A1 Process for the production of a phenol and a carbonyl compound by the catalysed decomposition of an aromatic hydroperoxide BP Chemicals Limited (GB) 1980-03-19 EP 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 (2 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-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 MEN1 4755/4885KMT2A 2150/4885FNTA 470/4885
US-20020151731-A1 Novel epoxide derivatives of allylarylphenols EPHX2, CBR3, CYP4X1 MEN1 4875/4885KMT2A 1122/4885FNTA 2081/4885

“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.