SCHEMBL774782

SCHEMBL774782

C1=CC2CC1C1CC3CCC3C21

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7203239 0.91 ALDH1A1 (0.33) ALDH1A1
SCHEMBL2493493 0.86 EPAS1 (0.35) ALDH1A1
SCHEMBL11630335 0.86 EPAS1 (0.32) ALDH1A1
SCHEMBL5011387 0.77 HSD11B1 (0.38) ALDH1A1
SCHEMBL9022130 0.77 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8856074 0.74 HSD11B1 (0.36)
SCHEMBL959182 0.73 ALDH1A1 (0.42) ALDH1A1
SCHEMBL1729636 0.73 ALDH1A1 (0.45) ALDH1A1
SCHEMBL6724992 0.73 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5491384 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071605-A1 POLYMER COMPOSITIONS COMPRISING CYCLIC OLEFIN POLYMERS, POLYOLEFIN MODIFIERS AND NON-FUNCTIONALIZED PLASTICIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2012-03-22 US claimed
US-8148472-B1 Polymer compositions comprising cyclic olefin polymers, polyolefin modifiers and non-functionalized plasticizers EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-04-03 US disclosed
US-20120071605-A1 POLYMER COMPOSITIONS COMPRISING CYCLIC OLEFIN POLYMERS, POLYOLEFIN MODIFIERS AND NON-FUNCTIONALIZED PLASTICIZERS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY 2012-03-22 US disclosed
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A 2009-02-12 US disclosed
US-7115591-B2 Pyridazinone compounds as cyclooxygenase [COX] 2 inhibitorsfor gastrointestinal disorders ABBOTT LABORATORIES (US) 2006-10-03 US disclosed
US-7001895-B2 Prostaglandin endoperoxide H synthase biosynthesis inhibitors ABBOTT LABORATORIES (US) 2006-02-21 US disclosed
EP-1124804-B1 PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS ABBOTT LAB (US) 2005-08-24 EP disclosed
US-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2004-08-12 US disclosed
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2003-12-04 US disclosed
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors BLACK LAWRENCE A (US) 2002-01-31 US disclosed
US-6307047-B1 PYRIDAZINONE COMPOUNDS; INHIBITORS OF CYCLOOXYGENASE-2 (COX-2); SELECTIVITY OF THESE COMPOUNDS FOR COX-2 MINIMIZES THE UNWANTED GI AND RENAL SIDE-EFFECTS SEEN WITH CURRENTLY MARKETED NON-STEROIDAL ANTI-INFLAMMATORY DRUGS ABBOTT LABORATORIES 2001-10-23 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-20040158064-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 277/4885
US-20090042888-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGIS, PTGS1, PTGS2 ALDH1A1 276/4885
US-20030225276-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885
US-20020013318-A1 Prostaglandin endoperoxide H synthase biosynthesis inhibitors PTGS1, PTGIS, PTGS2 ALDH1A1 286/4885

“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.