SCHEMBL655741

SCHEMBL655741

O=C1c2ccccc2COc2ccc(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 1.00
ALDH1A1 P00352 4/20 1.00
RAB9A P51151 2/20 1.00
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
KMT2A Q03164 1/20 0.58
AKR1B1 P15121 1/20 0.51

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
SCHEMBL8136557 0.86 ALDH1A1 (0.76) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL3142640 0.84 MAPT (0.72) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7806842 0.82 MAPT (0.69) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7249247 0.82 ALDH1A1 (0.69) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL11404428 0.81 ALDH1A1 (0.69) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL86392 0.81 MAPT (0.67) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL29375440 0.81 MAPT (0.67) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8798148 0.81 ALDH1A1 (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL7820863 0.81 ALDH1A1 (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E
SCHEMBL8797223 0.81 MAPT (0.68) MAPTALDH1A1RAB9ASMN1; SMN2KDM4E

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 US disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
EP-1204665-B1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARM INC (US) 2009-01-07 EP disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP disclosed
US-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR MILLENNIUM PHARMACEUTICALS, INC. 2002-08-29 US disclosed
US-6329385-B1 ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, VIRAL DISEASES AND GASTROINTESTINAL DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed
US-4889858-A ANTIHYPOXIC AGENTS, ANTICONVULSANTS, LIPID PEROXIDATION INHIBITORS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1989-12-26 US disclosed
EP-0269755-A1 DIBENZ b,e OXEPIN DERIVATIVE AND PHARMACEUTICAL CONTAINING THE SAME AS ACTIVE INGREDIENT Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-08 EP disclosed
US-4448786-A TREATMENT AND PREVENTION OF CALCIUM OXALATE KIDNEY STONES MERCK & CO., INC. (US) 1984-05-15 US disclosed
US-4349561-A 4-Substituted-3-hydroxy-3-pyrroline-2,5-dione inhibitors of glycolic acid oxidase MERCK & CO., INC. (US) 1982-09-14 US 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 (5 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-20020119973-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR CCL11, ACKR3, CXCR4 MAPT 4707/4885ALDH1A1 1533/4885RAB9A 2658/4885
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 MAPT 4720/4885ALDH1A1 2010/4885RAB9A 2306/4885
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAPT 4776/4885ALDH1A1 2146/4885RAB9A 1928/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAPT 4776/4885ALDH1A1 2146/4885RAB9A 1928/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 MAPT 4776/4885ALDH1A1 2146/4885RAB9A 1928/4885

“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.