SCHEMBL490119

SCHEMBL490119

O=C1c2ccccc2COc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
ALDH1A1 P00352 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
MAPK14 Q16539 9/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
PTPRC P08575 1/20 0.47
APP P05067 1/20 0.46
CYP1A2 P05177 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL1918267 0.89 MAPK14 (0.55) AKR1B1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL3142640 0.87 MAPT (0.72) TDP1L3MBTL1ALDH1A1MAPTRAB9A
SCHEMBL9977361 0.86 MAOA (0.47) AKR1B1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL7246016 0.86 TDP1 (0.64) AKR1B1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL4222122 0.82 MAPK14 (0.66) MAPK14
Phenol SCHEMBL9561887 0.82 MAPT (0.57) AKR1B1TDP1L3MBTL1ALDH1A1MAPT
SCHEMBL29375440 0.81 MAPT (0.67) AKR1B1TDP1ALDH1A1MAPTRAB9A
SCHEMBL86392 0.81 MAPT (0.67) AKR1B1TDP1ALDH1A1MAPTRAB9A
SCHEMBL3098370 0.81 MAPK14 (0.68) AKR1B1TDP1ALDH1A1MAPTRAB9A
SCHEMBL11575938 0.81 MAPK14 (0.68) AKR1B1TDP1ALDH1A1MAPTRAB9A

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 62 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-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-8350041-B2 Tricyclic δ-opioid modulators JANSSEN PHARMACEUTICA, NV (BE) 2013-01-08 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
US-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS CARSON JOHN R (US) 2012-04-19 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed
EP-0487502-A2 Pharmaceutically active aryl-substituted amine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1992-05-27 EP disclosed
EP-0409406-A2 Aryl-substituted amine derivatives useful in cancer therapy THE WELLCOME FOUNDATION LIMITED (GB) 1991-01-23 EP disclosed
WO-1990015599-A1 MEDICAMENTS USEFUL IN CANCER THERAPY AND HAVING ANTIHISTAMINIC PROPERTIES THE WELLCOME FOUNDATION LIMITED (GB) 1990-12-27 WO disclosed
US-4923892-A DOXEPIN DERIVATIVES; ANTIALLERGENS, ANTIASTHMATICS, ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1990-05-08 US disclosed
EP-0214779-B1 TRICYCLIC COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1990-04-11 EP disclosed
EP-0351887-A1 Tricyclic aromatic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1990-01-24 EP disclosed
US-4871865-A ANTIHISTAMINES BURROUGHS WELLCOME CO. (US) 1989-10-03 US disclosed
EP-0316022-A2 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1989-05-17 EP disclosed
EP-0214779-A1 Tricyclic compounds THE WELLCOME FOUNDATION LIMITED (GB) 1987-03-18 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 (3 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-20120095010-A1 TRICYCLIC DELTA-OPIOID MODULATORS OPRD1, OPRK1, OPRL1 AKR1B1 628/4885TDP1 3925/4885L3MBTL1 2619/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 AKR1B1 651/4885TDP1 3547/4885L3MBTL1 4007/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 AKR1B1 651/4885TDP1 3547/4885L3MBTL1 4007/4885

“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.