Sugi Predict

Sugi Predict / Compounds / SCHEMBL633996

SCHEMBL633996

SCHEMBL633996

COc1ccc(C(=O)/C=C/c2ccccc2)c(O)c1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 3/20 0.64
▸ CYP1B1 Q16678 3/20 0.64
▸ CYP1A2 P05177 2/20 0.64
▸ MAPT P10636 5/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TNFRSF1A P19438 2/20 0.60
▸ TDP1 Q9NUW8 1/20 0.59
▸ MCL1 Q07820 2/20 0.59
▸ TUBB1 Q9H4B7 1/20 0.59
▸ ABCG2 Q9UNQ0 3/20 0.58
▸ KCNA3 P22001 1/20 0.58
▸ LMNA P02545 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ ATM Q13315 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.56

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
SCHEMBL633997 1.00 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL1881107 0.89 CYP1A1 (0.64) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL30736480 0.89 CYP1A1 (0.72) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL31436378 0.89 CYP1A1 (0.72) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL17988080 0.89 CYP1B1 (0.67) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL14315253 0.89 CYP1A1 (0.72) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL1882355 0.89 CYP1A1 (0.72) CYP1A1CYP1B1CYP1A2MAPTNPC1
SCHEMBL19182775 0.88 ABCG2 (0.67) MAPTMEN1KMT2ATNFRSF1ATDP1
SCHEMBL19182774 0.88 ABCG2 (0.67) MAPTMEN1KMT2ATNFRSF1ATDP1
SCHEMBL21647189 0.86 MCL1 (0.60) MAPTMEN1KMT2ATDP1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 — — WO disclosed
EP-1888174-B1 USE OF CHALCONES FOR THE TREATMENT OF VIRAL DISORDERS JOHNSON & JOHNSON CONSUMER (US) 2012-02-22 — — EP disclosed
WO-2007115181-A9 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEM CO (US) 2008-04-03 — — WO disclosed
US-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof EASTMAN CHEMICAL COMPANY 2007-11-01 — — US disclosed
WO-2007115181-A2 COMPOUNDS EXHIBITING EFFLUX INHIBITOR ACTIVITY AND COMPOSITIONS AND USES THEREOF EASTMAN CHEMICAL COMPANY (US) 2007-10-11 — — WO disclosed
US-20060270614-A1 Use of chalcones for the treatment of viral disorders JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2006-11-30 — — US 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 (2 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-20070254859-A1 Compounds exhibiting efflux inhibitor activity and composition and uses thereof ABCC4, NCOA4, NR4A3 CYP1A1 215/4885CYP1B1 316/4885CYP1A2 319/4885
US-20060270614-A1 Use of chalcones for the treatment of viral disorders HAVCR2, HMGB3, EIF2AK2 CYP1A1 4202/4885CYP1B1 3535/4885CYP1A2 2829/4885

“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.