SCHEMBL15067413

SCHEMBL15067413

CCCCCCc1cc(-c2[c]c(C(C)(C)C)cc(CCCCCC)c2)[c]c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.46
CYP3A4 P08684 2/20 0.43
GPR84 Q9NQS5 2/20 0.39
ESR1 P03372 2/20 0.38
ADRA2A P08913 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
TACR2 P21452 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
SHBG P04278 1/20 0.38
TP53 P04637 1/20 0.38
HSPD1 P10809 1/20 0.38
ADRB3 P13945 1/20 0.38
HTR2C P28335 1/20 0.38
HSPE1 P61604 1/20 0.38
HIF1A Q16665 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
SCHEMBL15067850 1.00 PTGS2 (0.46) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL15067499 1.00 PTGS2 (0.46) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL15066983 0.98 PTGS2 (0.44) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL1056583 0.91 PTGS2 (0.50) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL8961112 0.85 HPGD (0.45) PTGS2CYP3A4GPR84ALDH1A1HSD17B10
SCHEMBL3693245 0.85 PTGS2 (0.44) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL7949508 0.77 HSPA5 (0.36) PTGS2
SCHEMBL8961299 0.75 GAA (0.33) PTGS2CYP3A4NPC1HPGDMAPK1
SCHEMBL9836104 0.74 PTGS2 (0.55) PTGS2CYP3A4GPR84ESR1ADRA2A
SCHEMBL9306772 0.74 PTGS2 (0.55) PTGS2CYP3A4GPR84ESR1ADRA2A

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
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
CN-108026062-B Process for the hydroformylation of 2-substituted butadienes and process for the production of secondary products thereof, in particular ambrox 巴斯夫欧洲公司 2022-04-12 CN disclosed
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 101/4885CYP3A4 357/4885GPR84 2269/4885
US-20130225849-A1 METHOD OF PURIFYING ORGANIC DIPHOSPHITE COMPOUNDS DCTPP1, DCPS, PPIP5K2 PTGS2 1827/4885CYP3A4 427/4885GPR84 4499/4885
US-20180273458-A1 METHOD FOR THE HYDROFORMYLATION OF 2-SUBSTITUTED BUTADIENES AND THE PRODUCTION OF SECONDARY PRODUCTS THEREOF, ESPECIALLY AMBROX ALOX12, ALOX15, ALOX5 PTGS2 101/4885CYP3A4 357/4885GPR84 2269/4885

“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.