SCHEMBL533382

SCHEMBL533382

CCc1ccc(-c2cc[c]cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.44
NISCH Q9Y2I1 1/20 0.42
EGFR P00533 1/20 0.42
TP53 P04637 2/20 0.42
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
UCHL1 P09936 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
METAP2 P50579 1/20 0.39
HRH3 Q9Y5N1 3/20 0.39
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL27618385 1.00 CYP2A6 (0.44) CYP2A6NISCHEGFRTP53TSHR
SCHEMBL21510 0.84
Water SCHEMBL28104109 0.84
SCHEMBL2776957 0.84 TP53 (0.56) CYP2A6NISCHEGFRTP53TSHR
SCHEMBL1702558 0.84 TP53 (0.56) CYP2A6NISCHEGFRTP53TSHR
SCHEMBL3890046 0.81
SCHEMBL3419974 0.81
SCHEMBL3400758 0.81
Ammonia Solution, Strong SCHEMBL10534296 0.81
SCHEMBL3889590 0.81

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 179 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926175-A Halogen-free polyphosphate flame retardant with high polymerization degree and preparation method thereof 缔久高科技材料(南通)有限公司 2023-04-07 CN claimed
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-08-10 US claimed
US-7067509-B2 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. (US) 2006-06-27 US claimed
US-6888022-B2 Methods and compounds for inhibiting β-amyloid peptide release and/or its synthesis ATHENA NEUROSCIENCES, INC. (US) 2005-05-03 US claimed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-12-23 US claimed
WO-2004081005-A1 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
WO-2004080411-A2 MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AND COMPOSITIONS AND METHODS RELATED THERETO NEUROCRINE BIOSCIENCES, INC. (US) 2004-09-23 WO claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis AUDIA JAMES E (US) 2003-12-11 US claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
US-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARMACEUTICALS, INC. 2002-05-02 US claimed
US-6191166-B1 ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. 2001-02-20 US claimed
CN-1238779-A Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis ELAN PHARM INC (US) 1999-12-15 CN claimed
EP-0942924-A2 METHODS AND COMPOUNDS FOR INHIBITING $g(b)-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-22 EP claimed
WO-1998022494-A9 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS 1998-08-20 WO claimed
WO-1998022494-A2 METHODS AND COMPOUNDS FOR INHIBITING β-AMYLOID PEPTIDE RELEASE AND/OR SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO claimed
CN-115109527-B Adhesive film, optical member including the same, and optical display apparatus including the same 三星SDI株式会社 2024-04-30 CN disclosed
EP-0001937-B1 PROCESS FOR THE HYDROCARBONYLATION OF METHANOL TO ETHANOL IN THE PRESENCE OF AN INERT LIQUID The British Petroleum Company p.l.c. (GB) 1981-09-02 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 (5 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-20020052322-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP CYP2A6 3470/4885NISCH 2588/4885EGFR 4053/4885
US-20040259931-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R CYP2A6 822/4885NISCH 898/4885EGFR 870/4885
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 CYP2A6 1458/4885NISCH 4189/4885EGFR 864/4885
US-20030229024-A1 Methods and compounds for inhibiting beta-amyloid peptide release and/or its synthesis APP, BACE1, IAPP CYP2A6 3470/4885NISCH 2588/4885EGFR 4053/4885
US-20060178403-A1 Melanin-concentrating hormone receptor antagonists and compositions and methods related thereto MCHR1, MCHR2, MC1R CYP2A6 815/4885NISCH 949/4885EGFR 1099/4885

“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.