SCHEMBL447196

SCHEMBL447196

CCCCCCc1ccc(C)c(S(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
RECQL P46063 1/20 0.48
ESR2 Q92731 1/20 0.48
KAT8 Q9H7Z6 2/20 0.47
PPARA Q07869 2/20 0.47
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
CYP3A4 P08684 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL6840086 1.00 POLB (0.48) POLBRECQLESR2KAT8PPARA
SCHEMBL6839192 0.98 POLB (0.49) POLBRECQLESR2KAT8PPARA
SCHEMBL4601026 0.94 POLB (0.50) POLBRECQLESR2CYP3A4KDM4E
SCHEMBL11960981 0.88 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL6839421 0.87 POLB (0.52) POLBRECQLESR2CYP3A4LMNA
SCHEMBL11718596 0.86 KAT8 (0.46) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL9139426 0.84 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL16341724 0.84 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL29405900 0.84 KAT8 (0.47) KAT8PPARAESR1ADRA2AADORA3
SCHEMBL8369675 0.84 KAT8 (0.57) KAT8PPARAESR1ADRA2AADORA3

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
US-20120065181-A1 METHOD OF PROVIDING NEUROPROTECTION USING SUBSTITUTED PORPHYRINS DUKE UNIVERSITY 2012-03-15 US disclosed
WO-2010138633-A1 METHOD OF PROVIDING NEUROPROTECTION USING SUBSTITUTED PORPHYRINS DUKE UNIVERSITY (US) 2010-12-02 WO disclosed
US-20040116618-A1 Polycarbonate resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-17 US disclosed
EP-1384755-A1 POLYCARBONATE RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-01-28 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-20120065181-A1 METHOD OF PROVIDING NEUROPROTECTION USING SUBSTITUTED PORPHYRINS SOD1, PYGB, PSAP POLB 3145/4885RECQL 2178/4885ESR2 3909/4885

“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.