SCHEMBL6316336

SCHEMBL6316336

Cc1[nH]c2ccc(OCCN3CC[C@H](CO)C3)cc2c1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.48
MAOB P27338 4/20 0.45
BCHE P06276 1/20 0.45
MAOA P21397 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ESR1 P03372 1/20 0.42

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
SCHEMBL6322012 1.00 LTA4H (0.48) LTA4HMAOBBCHEMAOAACHE
SCHEMBL6318493 1.00 LTA4H (0.48) LTA4HMAOBBCHEMAOAACHE
SCHEMBL6317111 0.90 KDM4E (0.52) LTA4HMAOBBCHEMAOAACHE
SCHEMBL6316010 0.89 PARP1 (0.48) LTA4HMAOBBCHEMAOAACHE
Hydrochloric Acid SCHEMBL6316093 0.89 PARP1 (0.47) LTA4HMAOBBCHEMAOAACHE
SCHEMBL6314840 0.88 KDM4E (0.48) LTA4HMAOBBCHEMAOAACHE
SCHEMBL6323073 0.88 KDM4E (0.43) LTA4HMAOBBCHEMAOAACHE
SCHEMBL6316727 0.86 LTA4H (0.48) LTA4HKDM4ELMNAMAPTHPGD
SCHEMBL6316855 0.86 HTT (0.53) LTA4HKDM4ELMNAMAPTHPGD
SCHEMBL6320566 0.86 MAOB (0.41) LTA4HMAOBBCHEMAOAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US claimed
US-6951848-B2 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC., (US) 2005-10-04 US disclosed
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-04-07 US disclosed
EP-1377549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR Millennium Pharmaceuticals, Inc. (US) 2004-01-07 EP disclosed
US-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. 2003-04-03 US disclosed
WO-2002072549-A1 FUNCTIONALIZED HETEROCYCLES AS MODULATORS OF CHEMOKINE RECEPTOR FUNCTION AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-09-19 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 (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-20030064991-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 LTA4H 286/4885MAOB 3386/4885BCHE 1922/4885
US-20050075348-A1 Functionalized heterocycles as modulators of chemokine receptor function and methods of use therefor ACKR3, CCR5, CXCR4 LTA4H 243/4885MAOB 3124/4885BCHE 1641/4885

“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.