Benzene

Benzene

SCHEMBL5833599

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

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.52
CYP2C9 P11712 3/20 0.48
HIF1A Q16665 2/20 0.48
CYP2D6 P10635 1/20 0.48
HTT P42858 2/20 0.48
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
IDO1 P14902 2/20 0.46
USP5 P45974 1/20 0.44
MGLL Q99685 1/20 0.44
LMNA P02545 1/20 0.43
CNR2 P34972 1/20 0.42
TRPA1 O75762 1/20 0.42
PTGS1 P23219 1/20 0.42
CACNA1C Q13936 1/20 0.42
ADRB2 P07550 1/20 0.41
HPGD P15428 1/20 0.41
UGT2B7 P16662 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 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
Isopropylbenzene SCHEMBL7041369 0.93 TAAR1 (0.48) TYRCYP2C9HIF1ACYP2D6HTT
Hydrogen Peroxide SCHEMBL182135 0.92 TYR (0.55) TYRCYP2C9HIF1ACYP2D6HTT
Hydrogen Peroxide SCHEMBL461155 0.92 TYR (0.55) TYRCYP2C9HIF1ACYP2D6HTT
Hydrogen Peroxide SCHEMBL20915049 0.92 TYR (0.55) TYRCYP2C9HIF1ACYP2D6HTT
SCHEMBL104124 0.92 TYR (0.58) TYRCYP2C9HIF1ACYP2D6HTT
Isopropylbenzene SCHEMBL6568 0.89
Hydrogen Peroxide SCHEMBL20534035 0.89 TYR (0.52) TYRCYP2C9HIF1ACYP2D6HTT
Isopropylbenzene SCHEMBL11254813 0.89
Isopropylbenzene SCHEMBL87809 0.89 TAAR1 (0.50) HIF1ACYP2D6KDM4ELMNAALDH1A1
Isopropylbenzene SCHEMBL8431863 0.89 TAAR1 (0.50) HIF1ACYP2D6KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012570-B1 SELECTIVE REACTION OF 1,4-DISUBSTITUTED BENZENE COMPOUNDS MOBIL OIL CORPORATION (US) 1983-10-12 EP claimed
CN-103608962-B Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same 三菱化学株式会社 2016-10-26 CN disclosed
US-7102043-B2 Process for synthesizing diisopropylbenzene THE GOODYEAR TIRE + RUBBER COMPANY (US) 2006-09-05 US disclosed
US-20050075522-A1 Process for synthesizing diisopropylbenzene GOODYEAR TIRE & RUBBER COMPANY, THE 2005-04-07 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-20050075522-A1 Process for synthesizing diisopropylbenzene DDT, CYP2E1, FDFT1 TYR 67/4885CYP2C9 86/4885HIF1A 2391/4885

“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.