SCHEMBL6443716

SCHEMBL6443716

C=[C]c1ccc(O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.43
TRPA1 O75762 2/20 0.40
EGFR P00533 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
LCK P06239 1/20 0.39
ALOX5 P09917 2/20 0.37
XDH P47989 1/20 0.37
ALOX15 P16050 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PTGS2 P35354 2/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
IGF1R P08069 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL18130059 0.78 APP (0.48) APPTRPA1CA1CA2CA4
SCHEMBL910546 0.74 APP (0.43) APPTRPA1CA1CA2CA4
SCHEMBL9176288 0.74 TRPA1 (0.46) APPTRPA1CA1CA2CA4
SCHEMBL217250 0.74 CA12 (0.52) APPEGFRCA2CA6ALOX15
SCHEMBL2338290 0.74 APP (0.43) APPTRPA1CA1CA2CA4
SCHEMBL29449995 0.74 CA12 (0.52) APPEGFRCA2CA6ALOX15
SCHEMBL15012969 0.73 MAOB (0.55) TRPA1EGFRCA2ALOX5ALOX15
SCHEMBL23271632 0.72 CA12 (0.50) APPEGFRCA2CA6ALOX15
SCHEMBL34461940 0.72 CA12 (0.50) APPEGFRCA2CA6ALOX15
Lithium SCHEMBL29517077 0.72 CA12 (0.50) APPEGFRCA2CA6ALOX15

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-0005232-B1 ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-25 EP claimed
JP-2013537883-A 2013-10-07 JP disclosed
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 US disclosed
EP-0604368-A1 Anti retroviral hydrazine derivatives CIBA-GEIGY AG (CH) 1994-06-29 EP disclosed
EP-0005232-B1 ISOQUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1982-08-25 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 APP 4/4885TRPA1 4562/4885EGFR 3220/4885

“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.