SCHEMBL6203906

SCHEMBL6203906

CC(C)c1ccccc1C(C)C.[Na]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.60
GABRB2 P47870 2/20 0.60
GABRG2 P18507 2/20 0.55
GABRB3 P28472 2/20 0.55
FAAH O00519 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
HPGD P15428 1/20 0.55
GABRB1 P18505 1/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55
HTR2C P28335 1/20 0.55
GABRA5 P31644 1/20 0.55
GABRA3 P34903 1/20 0.55
HTR2B P41595 1/20 0.55
GABRA2 P47869 1/20 0.55

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
SCHEMBL29429205 0.96 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL66162 0.96 GABRA1 (0.63) GABRA1GABRB2GABRG2GABRB3FAAH
Bromide SCHEMBL30437831 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
SCHEMBL31204330 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
Hydrochloric Acid SCHEMBL30437397 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
Ammonia Solution, Strong SCHEMBL7550582 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
Water SCHEMBL10586204 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
Water SCHEMBL10586200 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
Water SCHEMBL2581333 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH
Benzene SCHEMBL3121322 0.93 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3FAAH

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 GABRA1 650/4885GABRB2 266/4885GABRG2 982/4885

“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.