SCHEMBL3328971

SCHEMBL3328971

COc1ccc(OC(C)=O)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA7 P43166 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
BACE1 P56817 1/20 0.59
NR3C1 P04150 1/20 0.58
JUN P05412 1/20 0.57
NFKB1 P19838 1/20 0.57
TNFSF11 O14788 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.56
PTGS1 P23219 1/20 0.55
NPC1 O15118 1/20 0.54
KMT2A Q03164 3/20 0.54

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
SCHEMBL11793587 0.94 BACE1 (0.61) TSHRCA12CA1CA2CA7
SCHEMBL3327344 0.92 CA12 (0.63) TSHRCA12CA1CA2CA7
SCHEMBL2729632 0.92 TSHR (0.64) TSHRCA12CA1CA2CA7
SCHEMBL153056 0.86 CA12 (0.59) TSHRCA12CA1CA2CA7
SCHEMBL9669664 0.85 CA12 (0.63) CA12CA1CA2CA7CA9
SCHEMBL9669672 0.85 CA12 (0.63) TSHRCA12CA1CA2CA7
SCHEMBL2333834 0.84 TSHR (0.55) TSHRBACE1NR3C1JUNNFKB1
SCHEMBL28073562 0.83 PTGS1 (0.58) TSHRBACE1NR3C1JUNNFKB1
SCHEMBL9958587 0.83 TSHR (0.54) TSHRCA12CA1CA2CA7
SCHEMBL9509196 0.83 TNFSF11 (0.55) TSHRCA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111031799-A Substituted isothiazolopyridinones, method for the production thereof and use thereof as herbicides and/or plant growth regulators 拜耳作物科学股份公司 2020-04-17 CN disclosed
EP-2148865-B1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH INC (US) 2017-05-17 EP disclosed
US-8968708-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2015-03-03 US disclosed
US-8784782-B2 Compounds comprising linked heteroaryl moieties and their use as novel umami flavor modifiers, tastants and taste enhancers for comestible compositions SENOMYX, INC. (US) 2014-07-22 US disclosed
US-20130071536-A1 COMPOUNDS COMPRISING LINKED HETEROARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2013-03-21 US disclosed
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GRENENTECH, INC. (US) 2010-06-03 US disclosed
EP-2148865-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING Genentech, Inc. (US) 2010-02-03 EP disclosed
WO-2008137408-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING GENENTECH, INC. (US) 2008-11-13 WO disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
US-7329654-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-12 US disclosed
US-7105679-B2 Heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M 2006-09-12 US disclosed
WO-2006084186-A2 COMPOUNDS COMPRISING LINKED HETERO ARYL MOIETIES AND THEIR USE AS NOVEL UMAMI FLAVOR MODIFIERS, TASTANTS AND TASTE ENHANCERS FOR COMESTIBLE COMPOSITIONS SENOMYX, INC. (US) 2006-08-10 WO disclosed
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators KANOJIA RAMESH M (US) 2004-12-23 US disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP disclosed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed
US-6589980-B2 A compound which is 2,6-dihydroxy-8-methoxy-10,11-dioxa-benzo(b)fluoren-5-one or a pharmaceutically acceptable salt for treating or inhibiting osteoporosis or inhibiting bone demineralization in a mammal in need thereof WYETH 2003-07-08 US disclosed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO disclosed
US-20030087955-A1 Substituted 10,11-benzo[b]fluoren-10-ones as estrogenic agents WYETH 2003-05-08 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 (4 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-20030087955-A1 Substituted 10,11-benzo[b]fluoren-10-ones as estrogenic agents ESR1, GPER1, ESR2 TSHR 244/4885CA12 1451/4885CA1 1816/4885
US-20040259915-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR TSHR 140/4885CA12 1109/4885CA1 697/4885
US-20100137394-A1 PYRAZOLE INHIBITORS OF WNT SIGNALING WNT1, WNT3A, CTNNB1 TSHR 2577/4885CA12 4866/4885CA1 4784/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR TSHR 140/4885CA12 1109/4885CA1 697/4885

“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.