SCHEMBL15067334

SCHEMBL15067334

CCCc1cc(C)[c]c(-c2[c]c(C)cc(CCC)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MGLL Q99685 1/20 0.31
SKP2 Q13309 1/20 0.31
CYP3A4 P08684 1/20 0.30
PTGS2 P35354 1/20 0.30
LPL P06858 1/20 0.30
LIPG Q9Y5X9 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
SCHEMBL28826016 0.88 HTT (0.41) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL15067947 0.81 PTGS2 (0.33) PTGS2
SCHEMBL15066582 0.77 CNR1 (0.33) CNR1CNR2MGLLCYP3A4PTGS2
SCHEMBL2277083 0.76 HPGD (0.56) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL28488145 0.73 PTGS2 (0.54) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL17418145 0.71 PTGS2 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9836293 0.71 PTGS2 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9836104 0.71 PTGS2 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL9306772 0.71 PTGS2 (0.55) HTTNPC1HPGDMAPK1RAB9A
SCHEMBL7700304 0.71 CNR1 (0.46) HTTNPC1HPGDMAPK1RAB9A

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 HTT 583/4885NPC1 2521/4885HPGD 14/4885
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 HTT 3525/4885NPC1 1954/4885HPGD 1658/4885
US-20180273458-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX ALOX12, ALOX15, ALOX5 HTT 583/4885NPC1 2521/4885HPGD 14/4885

“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.