SCHEMBL14722352

SCHEMBL14722352

c1ccc2cc(COc3ccc4ccccc4c3-c3c(P(C4CCCCC4)C4CCCCC4)ccc4ccccc34)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.45
CNR2 P34972 5/20 0.40
BCHE P06276 3/20 0.40
ALOX5 P09917 3/20 0.39
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 4/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR7 P34969 1/20 0.38
HTR2B P41595 1/20 0.38
HTR3A P46098 1/20 0.38
HTR4 Q13639 1/20 0.38
MAOB P27338 1/20 0.37
KCNH2 Q12809 2/20 0.36
GRM2 Q14416 1/20 0.36
RAB9A P51151 2/20 0.36
PREP P48147 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL14732619 0.91 NPC1 (0.44) CNR1ALOX5RAB9ANPC1MAPT
SCHEMBL14722273 0.84 CNR1 (0.38) CNR1CNR2BCHEALOX5SLC6A2
SCHEMBL16812628 0.82 GAA (0.46) CNR1CNR2ALOX5KCNH2MAPT
SCHEMBL30391805 0.80 ALDH1A1 (0.37) RAB9AMAPTSMN1; SMN2
SCHEMBL160594 0.80 ALDH1A1 (0.37) RAB9AMAPTSMN1; SMN2
SCHEMBL1365289 0.80 MAPT (0.58) SLC6A4RAB9AMAPTSMN1; SMN2L3MBTL1
SCHEMBL31566355 0.79 ALDH1A1 (0.38) MAPT
SCHEMBL164194 0.79 ALDH1A1 (0.38) MAPT
SCHEMBL13593791 0.79 CNR1 (0.46) CNR1CNR2ALOX5HTR2AHTR2C
SCHEMBL15883735 0.76 GPR84 (0.37) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 US disclosed
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 US disclosed
US-9512155-B2 Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-12-06 US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 US disclosed
US-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-06-18 US disclosed
WO-2013028132-A9 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-08-22 WO disclosed
WO-2013028132-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2013-02-28 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 (1 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-20150166586-A1 CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY EPHA8, DAGLA, TEC CNR1 3273/4885CNR2 3591/4885BCHE 772/4885

“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.