SCHEMBL296118

SCHEMBL296118

CCCCCCCCc1ccc2c3c(ccc2c1)OP(=O)(O)Oc1ccc2cc(CCCCCCCC)ccc2c1-3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.52
KAT8 Q9H7Z6 2/20 0.40
PPARA Q07869 2/20 0.40
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
TRPV1 Q8NER1 1/20 0.39
MGLL Q99685 1/20 0.39
ESR1 P03372 2/20 0.39
ADRA2A P08913 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
TACR2 P21452 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
SHBG P04278 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL6557591 1.00 GPR84 (0.52) GPR84KAT8PPARALPLLIPG
SCHEMBL6557598 1.00 GPR84 (0.52) GPR84KAT8PPARALPLLIPG
SCHEMBL6557609 1.00 GPR84 (0.52) GPR84KAT8PPARALPLLIPG
SCHEMBL6557628 1.00 GPR84 (0.52) GPR84KAT8PPARALPLLIPG
SCHEMBL6557226 1.00 GPR84 (0.52) GPR84KAT8PPARALPLLIPG
Hydrochloric Acid SCHEMBL6557608 0.99 GPR84 (0.51) GPR84KAT8PPARALPLLIPG
SCHEMBL6557253 0.96 GPR84 (0.53) GPR84KAT8PPARATRPV1KDM4E
SCHEMBL6557250 0.91 GPR84 (0.56) GPR84KDM4E
SCHEMBL6557613 0.89 GPR84 (0.40) GPR84KAT8PPARALPLLIPG
SCHEMBL6557266 0.88 GPR84 (0.39) GPR84KAT8PPARALPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350040-B2 Process for preparing (alpha S, beta R)-6-bromo-alpha-[2-(dimethylamino)ethyl]-2- methoxy-alpha-1-naphthalenyl-beta-phenyl-3-quinolineethanol JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-08 US disclosed
EP-1888604-B1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL JANSSEN PHARMACEUTICA NV (BE) 2012-03-14 EP disclosed
US-20110319623-A1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL CILAG AG (CH) 2011-12-29 US disclosed
US-8039628-B2 Isolation from mixture of stereoisomers; optical resolution of enantiomorphs JANSSEN PHARMACEUTICA N.V. (BE) 2011-10-18 US disclosed
US-20080200683-A1 Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-21 US disclosed
EP-1038877-B1 Binaphthol monophosphoric acid derivative and its use TOSOH CORP (JP) 2004-03-10 EP disclosed
US-6274745-B1 CATALYST TOSOH CORPORATION (JP) 2001-08-14 US disclosed
JP-2000336097-A BINAPHTHOL PHOSPHORIC ACID DERIVATIVE AND ITS UTILIZATION TOSOH CORP 2000-12-05 JP disclosed
EP-1038877-A1 Binaphthol monophosphoric acid derivative and its use Tosoh Corporation (JP) 2000-09-27 EP 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-20080200683-A1 Process for Preparing (Alpha S, Beta R)-6-Bromo-Alpha-[2-(Dimethylamino) Ethyl]-2-Methoxy-Alpha-1-Naphthalenyl-Beta-Phenyl-3-Quinolineethanol LBR, ADRA1A, ADRA1D GPR84 1474/4885KAT8 4339/4885PPARA 3258/4885
US-20110319623-A1 PROCESS FOR PREPARING (ALPHA S, BETA R)-6-BROMO-ALPHA-[2-(DIMETHYLAMINO)ETHYL]-2-METHOXY-ALPHA-1-NAPHTHALENYL-BETA-PHENYL-3-QUINOLINEETHANOL LBR, ADRA1A, ADRA1D GPR84 1474/4885KAT8 4339/4885PPARA 3258/4885

“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.