Isopropylbenzene

Isopropylbenzene

SCHEMBL3122914

C=CC.CC(C)c1ccccc1.c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.41
▸ TYR P14679 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ ADRA2C P18825 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ TSHR P16473 2/20 0.38
▸ DPP4 P27487 2/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ F2 P00734 1/20 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
Isopropylbenzene SCHEMBL7158490 1.00 TAAR1 (0.41) TAAR1TYRKDM4EADRA2AADRA2C
Isopropylbenzene SCHEMBL3075578 0.87 TYR (0.38) TAAR1TYRKDM4ECYP2D6LMNA
Isopropylbenzene SCHEMBL3672803 0.86 TAAR1 (0.50) TAAR1KDM4EADRA2AADRA2CCYP2D6
Isopropylbenzene SCHEMBL11254813 0.86 — —
Isopropylbenzene SCHEMBL8431863 0.86 TAAR1 (0.50) TAAR1KDM4EADRA2AADRA2CCYP2D6
Isopropylbenzene SCHEMBL6568 0.86 — —
Isopropylbenzene SCHEMBL87809 0.86 TAAR1 (0.50) TAAR1KDM4EADRA2AADRA2CCYP2D6
P-Cymene SCHEMBL6454352 0.84 LMNA (0.46) TYRKDM4ELMNATSHRMAPK1
P-Cymene SCHEMBL10727873 0.84 LMNA (0.46) TYRKDM4ELMNATSHRMAPK1
Isopropylbenzene SCHEMBL3646130 0.84 TYR (0.52) TAAR1TYRKDM4EADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102387861-B The catalyst useful to alkylating aromatic hydrocarbon LUMMUS TECHNOLOGY INC. (US) 2015-09-09 — — CN disclosed
US-20130230450-A1 Catalysts Useful for the Alkylation of Aromatic Hydrocarbons LUMMUS TECHNOLOGY INC. (US) 2013-09-05 — — US disclosed
US-8450232-B2 Catalysts useful for the alkylation of aromatic hydrocarbons LUMMUS TECHNOLOGY INC. (US) 2013-05-28 — — US disclosed
CN-102387861-A Catalysts useful for the alkylation of aromatic hydrocarbons LUMMUS TECHNOLOGY INC 2012-03-21 — — CN disclosed
US-20100179359-A1 CATALYSTS USEFUL FOR THE ALKYLATION OF AROMATIC HYDROCARBONS LUMMUS TECHNOLOGY INC. (US) 2010-07-15 — — US disclosed
US-7745674-B2 Alkylation slurry reactor CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-06-29 — — US disclosed
US-20100048966-A1 ALKYLATION SLURRY REACTOR CATALYTIC DISTILLATION TECHNOLOGIES (US) 2010-02-25 — — US disclosed
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
WO-2005093010-A2 CONVERTING PROPYLENE IN AN OXYGENATE-CONTAMINATED PROPYLENE STREAM TO NON-POLYMERIZATION DERIVATIVE PRODUCTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-06 — — WO disclosed
EP-1558550-A1 AROMATICS CONVERSION WITH ITQ-13 ExxonMobil Chemical Patents Inc. (US) 2005-08-03 — — EP disclosed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 — — US disclosed
WO-2004041756-A1 AROMATICS CONVERSION WITH ITQ-13 EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-05-21 — — WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100048966-A1 ALKYLATION SLURRY REACTOR CYP3A4, CYP2E1, ADH5 TAAR1 385/4885TYR 1451/4885KDM4E 1074/4885
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 TAAR1 3166/4885TYR 1122/4885KDM4E 293/4885
US-20020151731-A1 Novel epoxide derivatives of allylarylphenols EPHX2, CBR3, CYP4X1 TAAR1 1437/4885TYR 84/4885KDM4E 200/4885
US-20100179359-A1 CATALYSTS USEFUL FOR THE ALKYLATION OF AROMATIC HYDROCARBONS KCNK10, KCNH3, KMO TAAR1 777/4885TYR 77/4885KDM4E 532/4885

“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.

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