SCHEMBL68797

SCHEMBL68797

CCC(C)C(C)c1cc(O)cc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 11/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRM1 P35372 2/20 0.39
SLC22A1 O15245 1/20 0.39
LMNA P02545 3/20 0.37
KMT2A Q03164 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CASP7 P55210 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.37
APEX1 P27695 1/20 0.37
BLM P54132 1/20 0.37
ESR1 P03372 1/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
CHRM2 P08172 1/20 0.37
ADORA3 P0DMS8 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
SCHEMBL69442 0.84 ADRB2 (0.38) ADRB2TSHRHIF1AADRA1AOPRM1
SCHEMBL11503300 0.80 OPRM1 (0.49) ADRB2TSHRHIF1AADRA1AOPRM1
SCHEMBL2952875 0.79 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL68774 0.78 ADRB2 (0.54) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL3233268 0.77 ESR1 (0.58) TSHRHIF1AADRA1AOPRM1LMNA
SCHEMBL11301838 0.77 ADRB2 (0.46) ADRB2ADRA1AOPRM1SLC22A1LMNA
SCHEMBL11831177 0.77 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL2953489 0.77 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL11828601 0.77 ADRB2 (0.53) ADRB2TSHRHIF1AADRA1ACYP3A4
SCHEMBL69138 0.76 ALOX15 (0.48) ADRB2TSHRHIF1AADRA1AOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8258322-B2 Synthesis of hexahydrodibenzopyranones WATSON LABORATORIES, INC. (US) 2012-09-04 US disclosed
EP-2479203-A1 AROMATIC POLYESTER Muroran Institute of Technology (JP) 2012-07-25 EP disclosed
US-20120172570-A1 AROMATIC POLYESTER NITTA CORPORATION 2012-07-05 US disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
CN-102131795-A Improved synthesis of hexahydrodibenzopyranones DALTON CHEMICAL LAB INC 2011-07-20 CN disclosed
EP-2331519-A1 IMPROVED SYNTHESIS OF HEXAHYDRODIBENZOPYRANONES Watson Laboratories, Inc. (US) 2011-06-15 EP disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20100056811-A1 Synthesis of Hexahydrodibenzopyranones WATSON LABORATORIES, INC. 2010-03-04 US disclosed
WO-2010022520-A1 IMPROVED SYNTHESIS OF HEXAHYDRODIBENZOPYRANONES DALTON CHEMICAL LABORATORIES INC. (CA) 2010-03-04 WO disclosed
US-4148809-A Process for preparing dl-cis-1-hydroxy-3-substituted-6,6-dimethyl-6,6a,7,8,10,10a-hexahydro-9H-dibenzo[b,d]pyran-9-ones ELI LILLY AND COMPANY (US) 1979-04-10 US disclosed
US-4088777-A Hexahydro-dibenzo[b,d]pyran-9-ones as anticonvulsant drugs ELI LILLY AND COMPANY (US) 1978-05-09 US disclosed
US-4087546-A Hexahydro-dibenzo[b,d]pyran-9-ones as antiasthmatic drugs ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4087547-A Hexahydro-dibenzo[b,d]pyran-9-ones in treatment of glaucoma ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4087545-A Hexahydro-dibenzo[b,d]pyran-9-ones as antiemetic drugs ELI LILLY AND COMPANY (US) 1978-05-02 US disclosed
US-4024275-A Method of reducing elevated blood pressure with dihydroxy-hexahydrodibenzo(b,d)pyrans ELI LILLY AND COMPANY (US) 1977-05-17 US disclosed
US-3987188-A Hexahydro-dibenzo[b,d]pyran-9-ones as sedative drugs ELI LILLY AND COMPANY (US) 1976-10-19 US disclosed
US-3968125-A Dihydroxyhexahydrodibenzo[b,d]pyrans ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed
US-3953603-A Hexahydro-dibenzo[b,d,]pyran-9-ones as psychotropic, particularly anti-depressant drugs ELI LILLY AND COMPANY (US) 1976-04-27 US disclosed
US-3944673-A Hexahydro-dibenzo[b,d]pyran-9-ones as analgesic drugs ELI LILLY AND COMPANY (US) 1976-03-16 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ADRB2 1430/4885TSHR 3263/4885HIF1A 1324/4885
US-20100056811-A1 Synthesis of Hexahydrodibenzopyranones GNE, GALE, UGDH ADRB2 390/4885TSHR 3594/4885HIF1A 3298/4885

“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.