SCHEMBL15067947

SCHEMBL15067947

CCc1cc(C)[c]c(-c2[c]c(C)cc(CC)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TP53 P04637 1/20 0.31
TRPA1 O75762 1/20 0.30

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
SCHEMBL1395968 0.87 PTGS2 (0.37) PTGS2NOS3NOS1NOS2TP53
SCHEMBL7365552 0.82 HEXA (0.30)
SCHEMBL15067334 0.81 HTT (0.38) PTGS2
SCHEMBL509622 0.78 PTGS2 (0.32) PTGS2NOS3NOS1NOS2
SCHEMBL15068068 0.75 PTGS2 (0.33) PTGS2NOS3NOS1NOS2TP53
SCHEMBL7949508 0.75 HSPA5 (0.36) PTGS2
SCHEMBL28806252 0.67 PTGS2 (0.48) PTGS2NOS3NOS1NOS2TP53
SCHEMBL439074 0.67 PTGS2 (0.48) PTGS2NOS3NOS1NOS2TP53
SCHEMBL7950779 0.67 ALDH1A1 (0.33)
SCHEMBL2466339 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP claimed
US-9108988-B2 Method of purifying organic diphosphite compounds BASF SE (DE) 2015-08-18 US claimed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP claimed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US claimed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO claimed
EP-3319951-B1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND FOR THE PREPARATION OF PRODUCTS DERIVED FROM SAME, PARTICULARLY FROM AMBROX BASF SE (DE) 2021-09-08 EP disclosed
US-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox BASF SE (DE) 2019-06-11 US disclosed
EP-2797939-B1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2018-10-31 EP disclosed
US-20180273458-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2018-09-27 US disclosed
EP-3319951-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX BASF SE (DE) 2018-05-16 EP disclosed
US-9108988-B2 Method of purifying organic diphosphite compounds BASF SE (DE) 2015-08-18 US disclosed
EP-2797939-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2014-11-05 EP disclosed
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-08-29 US disclosed
WO-2013098368-A1 METHOD FOR PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS BASF SE (DE) 2013-07-04 WO 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 (3 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-10315975-B2 Method for the hydroformylation of 2-substituted butadienes and the production of secondary products thereof, especially ambrox ALOX12, ALOX15, ALOX5 PTGS2 101/4885NOS3 796/4885NOS1 2019/4885
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 PTGS2 1827/4885NOS3 3752/4885NOS1 4381/4885
US-20180273458-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX ALOX12, ALOX15, ALOX5 PTGS2 101/4885NOS3 796/4885NOS1 2019/4885

“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.