SCHEMBL372344

SCHEMBL372344

CCCCCP(c1ccccc1)c1ccccc1.c1ccc(Pc2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.34
LTA4H P09960 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
CES2 O00748 2/20 0.32
CES1 P23141 2/20 0.32
DNM1 Q05193 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
TSHR P16473 1/20 0.32
PTPN11 Q06124 1/20 0.31
HPGD P15428 1/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EPHX2 P34913 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL3943019 0.95 PCSK9 (0.35) PCSK9LTA4HSIGMAR1CES2CES1
SCHEMBL808438 0.89 LTA4H (0.38) PCSK9LTA4HSIGMAR1CES2CES1
SCHEMBL6659978 0.87 ESR1 (0.32) TDP1TP53
SCHEMBL10871891 0.87 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL49938 0.87 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL4416335 0.87 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL1726443 0.87 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL9414060 0.87 LTA4H (0.37) PCSK9LTA4HSIGMAR1CES2CES1
SCHEMBL6291641 0.87 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1
SCHEMBL108820 0.87 DNM1 (0.40) LTA4HSIGMAR1CES2CES1DNM1

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-2261212-B1 Preparation of quinoline-substituted carbamate derivatives ABBVIE INC (US) 2016-08-31 EP disclosed
EP-2409964-B1 Process for the preparation of carbonate derivatives ABBOTT LAB (US) 2016-01-27 EP disclosed
EP-1192139-B1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBOTT LAB (US) 2012-04-18 EP disclosed
EP-2409964-A2 Preparation of substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2012-01-25 EP disclosed
EP-2261212-A2 Preparation of quinoline-substituted carbonate and carbamate derivatives Abbott Laboratories (US) 2010-12-15 EP disclosed
US-7074932-B2 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2006-07-11 US disclosed
US-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ALLEN MICHAEL S 2006-06-15 US disclosed
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2003-10-23 US disclosed
US-6579986-B2 Metal-catalyzed coupling reactions for 6-o-substituted macrolide antibiotics ABBOTT LABORATORIES 2003-06-17 US disclosed
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-11-07 US disclosed
US-6417366-B2 CHEMICAL INTERMEDIATE FOR MACROLACTONE ANTIBIOTIC ABBOTT LABORATORIES 2002-07-09 US disclosed
EP-1192139-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES Abbott Laboratories (US) 2002-04-03 EP disclosed
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives ABBVIE INC. 2002-01-31 US disclosed
WO-2001000582-A1 PREPARATION OF QUINOLINE-SUBSTITUTED CARBONATE AND CARBAMATE DERIVATIVES ABBOTT LABORATORIES (US) 2001-01-04 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 (4 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-20060128962-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 PCSK9 976/4885LTA4H 3617/4885SIGMAR1 2027/4885
US-20030199696-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 PCSK9 976/4885LTA4H 3617/4885SIGMAR1 2027/4885
US-20020165390-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 PCSK9 976/4885LTA4H 3617/4885SIGMAR1 2027/4885
US-20020013468-A1 Preparation of quinoline-substituted carbonate and carbamate derivatives CA7, CA6, CA4 PCSK9 976/4885LTA4H 3617/4885SIGMAR1 2027/4885

“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.