SCHEMBL69048

SCHEMBL69048

CCCCCC(C)c1cc(O)cc(O)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.57
PTGS2 P35354 3/20 0.48
CYP3A4 P08684 1/20 0.48
GPR84 Q9NQS5 1/20 0.43
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ADRA1A P35348 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL11615908 0.98 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL68546 0.98 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL68950 0.98 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL11808633 0.98 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL11737358 0.98 ADRB2 (0.55) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL5916413 0.94 ADRB2 (0.56) ADRB2PTGS2CYP3A4GPR84TSHR
SCHEMBL5916418 0.85 ADRB2 (0.46) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL14259760 0.84 ADRB2 (0.47) ADRB2PTGS2GPR84TSHRHIF1A
SCHEMBL6535876 0.81 ADRB2 (0.42) ADRB2PTGS2CYP3A4TSHRHIF1A
SCHEMBL1838599 0.81 GPR84 (0.41) ADRB2GPR84KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562038-B2 Bifunctional molecules with antibody-recruiting and entry inhibitory activity against the human immunodeficiency virus YALE UNIVERSITY (US) 2017-02-07 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
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 US disclosed
US-20060183922-A1 CB2-selective cannabinoid derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
US-4025630-A Anesthesia methods using benzopyrans and esters thereof as pre-anesthesia medication ABBOTT LABORATORIES (US) 1977-05-24 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-3972880-A TRANQUILIZER SHARPS ASSOCIATES (US) 1976-08-03 US disclosed
US-3968125-A Dihydroxyhexahydrodibenzo[b,d]pyrans ELI LILLY AND COMPANY (US) 1976-07-06 US disclosed
US-3962448-A CNS DEPRESSANTS, VETERINARY SMITHKLINE CORPORATION (US) 1976-06-08 US disclosed
US-3960871-A ANTIDEPRESSANT, ANALGESICS, ANTICONVULSANT ANTI-ANXIETY ACTIVITY SHARPS ASSOCIATES (US) 1976-06-01 US disclosed
US-3940421-A Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans ARTHUR D. LITTLE, INC. (US) 1976-02-24 US disclosed
US-3931232-A 3-Alkyl xanthene compounds SMITHKLINE CORPORATION (US) 1976-01-06 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 1430/4885PTGS2 2866/4885CYP3A4 2028/4885
US-20060183922-A1 CB2-selective cannabinoid derivatives CNR2, CNR1, GPR18 ADRB2 64/4885PTGS2 244/4885CYP3A4 1296/4885

“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.