Isopropylbenzene

Isopropylbenzene

SCHEMBL23716780

CC(C)c1ccccc1.NC(N)=S.OO

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.58
ADRA2A P08913 1/20 0.48
ADRA2C P18825 1/20 0.48
LMNA P02545 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NOS2 P35228 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX5 P09917 1/20 0.45
TAAR1 Q96RJ0 2/20 0.44
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
AOC3 Q16853 1/20 0.42

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 SCHEMBL4274629 0.95 HTT (0.58) HTTADRA2AADRA2CLMNAHIF1A
Isopropylbenzene SCHEMBL16627 0.87 ADRA2C (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
Isopropylbenzene SCHEMBL18614726 0.87 ADRA2C (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
Isopropylbenzene SCHEMBL30804544 0.87 ADRA2C (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
Isopropylbenzene SCHEMBL23421101 0.87 ADRA2C (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
Isopropylbenzene SCHEMBL6320513 0.87 ADRA2C (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
Isopropylbenzene SCHEMBL4795494 0.87 ADRA2C (0.52) ADRA2AADRA2CLMNAHIF1AKDM4E
Isopropylbenzene SCHEMBL17187547 0.85 ALOX5 (0.55) HTTADRA2AADRA2CLMNAHIF1A
Isopropylbenzene SCHEMBL27970219 0.85 ADRA2A (0.48) HTTADRA2AADRA2CLMNAHIF1A
Isopropylbenzene SCHEMBL10933955 0.85 ALOX5 (0.55) HTTADRA2AADRA2CLMNAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11951193-B2 Monomer composition for dental materials, composition for dental materials, and dental material MITSUI CHEMICALS, INC. (JP) 2024-04-09 US disclosed
US-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL MITSUI CHEMICALS, INC. (JP) 2021-11-04 US disclosed
EP-3861975-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL Mitsui Chemicals, Inc. (JP) 2021-08-11 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-11951193-B2 Monomer composition for dental materials, composition for dental materials, and dental material RAD51, AP1M1, MNS1 HTT 1962/4885ADRA2A 3241/4885ADRA2C 3465/4885
US-20210338537-A1 MONOMER COMPOSITION FOR DENTAL MATERIALS, COMPOSITION FOR DENTAL MATERIALS, AND DENTAL MATERIAL RAD51, AP1M1, MNS1 HTT 1962/4885ADRA2A 3241/4885ADRA2C 3465/4885

“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.