Isopropylbenzene

Isopropylbenzene

SCHEMBL9035997

CC(C)c1ccccc1.Cc1ccccc1C

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ACHE P22303 1/20 0.56
TAAR1 Q96RJ0 3/20 0.42
LMNA P02545 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2C P18825 1/20 0.41
CYP2D6 P10635 1/20 0.41
HIF1A Q16665 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ACP3 P15309 1/20 0.41
SCN4A P35499 5/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39

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 SCHEMBL8569358 1.00 TSHR (0.56) TSHRACHETAAR1LMNAADRA2A
Isopropylbenzene SCHEMBL87809 0.88 TAAR1 (0.50) TSHRTAAR1LMNAADRA2AADRA2C
Isopropylbenzene SCHEMBL3672803 0.88 TAAR1 (0.50) TSHRTAAR1LMNAADRA2AADRA2C
Isopropylbenzene SCHEMBL6568 0.88
Isopropylbenzene SCHEMBL11254813 0.88
Isopropylbenzene SCHEMBL8431863 0.88 TAAR1 (0.50) TSHRTAAR1LMNAADRA2AADRA2C
Isopropylbenzene SCHEMBL25225703 0.85 ACP3 (0.48) TSHRACHELMNAADRA2AADRA2C
Isopropylbenzene SCHEMBL4795494 0.85 ADRA2C (0.52) TSHRTAAR1LMNAADRA2AADRA2C
Isopropylbenzene SCHEMBL9725943 0.85 TAAR1 (0.48) TSHRTAAR1LMNAADRA2AADRA2C
Isopropylbenzene SCHEMBL9352133 0.85 TAAR1 (0.48) TSHRTAAR1LMNAADRA2AADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3044227-B1 USE OF CYCLOHEXA-2,5-DIEN-1-YL-SILANES AS PRECURSORS FOR GASEOUS HYDROSILANES UNIV BERLIN TECH (DE) 2017-11-08 EP disclosed
US-9518070-B2 Use of cyclohexa-2,5-dien-1-yl-silanes as precursors for gaseous hydrosilanes TECHNISCHE UNIVERSITAET BERLIN (DE) 2016-12-13 US disclosed
US-20160222037-A1 USE OF CYCLOHEXA-2,5-DIEN-1-YL-SILANES AS PRECURSORS FOR GASEOUS HYDROSILANES TECHNISCHE UNIVERSITAET BERLIN (DE) 2016-08-04 US disclosed
EP-3044227-A1 USE OF CYCLOHEXA-2,5-DIEN-1-YL-SILANES AS PRECURSORS FOR GASEOUS HYDROSILANES Technische Universität Berlin (DE) 2016-07-20 EP disclosed
WO-2015036309-A1 USE OF CYCLOHEXA-2,5-DIEN-1-YL-SILANES AS PRECURSORS FOR GASEOUS HYDROSILANES Technische Universität Berlin (DE) 2015-03-19 WO disclosed
EP-2845857-A1 Use of cyclohexa-2,5-dien-1-yl-silanes as precursors for gaseous hydrosilanes Technische Universität Berlin (DE) 2015-03-11 EP disclosed
CN-1720207-A Aromatics conversion using ITQ-13 EXXONMOBIL CHEM PATENTS INC (US) 2006-01-11 CN disclosed
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5288915-A Process of making ketones THE DOW CHEMICAL COMPANY (US) 1994-02-22 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
WO-1993009082-A1 PROCESS OF MAKING KETONES THE DOW CHEMICAL COMPANY (US) 1993-05-13 WO disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 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 (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-20160222037-A1 USE OF CYCLOHEXA-2,5-DIEN-1-YL-SILANES AS PRECURSORS FOR GASEOUS HYDROSILANES HRH3, HRH2, HRH1 TSHR 636/4885ACHE 4832/4885TAAR1 225/4885

“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.