SCHEMBL6203905

SCHEMBL6203905

CC(C)c1ccc(C(C)C)cc1.[NaH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.55
HTT P42858 2/20 0.50
IDO1 P14902 2/20 0.48
MGLL Q99685 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C9 P11712 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
PTGS1 P23219 1/20 0.43
CACNA1C Q13936 1/20 0.43
ADRB2 P07550 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
ALOX12 P18054 1/20 0.42
NOTUM Q6P988 2/20 0.41
USP5 P45974 1/20 0.41

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
SCHEMBL104124 0.96 TYR (0.58) TYRHTTIDO1MGLLLMNA
SCHEMBL28912214 0.92 TYR (0.55) TYRHTTIDO1MGLLLMNA
Water SCHEMBL29278796 0.92 TYR (0.55) TYRHTTIDO1MGLLLMNA
Water SCHEMBL11726962 0.92 TYR (0.55) TYRHTTIDO1MGLLLMNA
Ammonia Solution, Strong SCHEMBL7550588 0.92 TYR (0.55) TYRHTTIDO1MGLLLMNA
Hydrochloric Acid SCHEMBL28212819 0.92 TYR (0.55) TYRHTTIDO1MGLLLMNA
SCHEMBL27706878 0.92 TYR (0.55) TYRHTTIDO1MGLLLMNA
Benzene SCHEMBL5833599 0.88 TYR (0.52) TYRHTTIDO1MGLLLMNA
Hydrogen Peroxide SCHEMBL182135 0.88 TYR (0.55) TYRHTTIDO1MGLLLMNA
Hydrogen Peroxide SCHEMBL20915049 0.88 TYR (0.55) TYRHTTIDO1MGLLLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1508342-A1 Deodourising biocidal compositions Allied Bio Corporation Limited (GB) 2005-02-23 EP disclosed
EP-1428539-A1 Sterilising agents and methods Allied Bio Corporation Limited (GB) 2004-06-16 EP disclosed
EP-1214104-B1 STERILISING AGENTS AND METHODS ALLIED BIO CORPROATION LTD (GB) 2004-05-26 EP disclosed
EP-1214104-A1 STERILISING AGENTS AND METHODS Allied Bio Corproation Limited (GB) 2002-06-19 EP disclosed
US-20020038049-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS MANRO PERFOMANCE CHEMICALS LIMITED (GB) 2002-03-28 US disclosed
WO-2001021224-A1 STERILISING AGENTS AND METHODS ALLIED BIO CORPORATION LIMITED (GB) 2001-03-29 WO disclosed
EP-0998453-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS Manro Performance Chemicals Limited (GB) 2000-05-10 EP disclosed
WO-1999061415-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS MANRO PERFORMANCE CHEMICALS LIMITED (GB) 1999-12-02 WO 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-20020038049-A1 SULPHONATION PROCESS AND NOVEL SULPHONATED COMPOUNDS TST, STS, SULT2A1 TYR 1104/4885HTT 795/4885IDO1 3383/4885

“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.