SCHEMBL416292

SCHEMBL416292

CCOC(=O)C1=C(O)C(Br)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 2/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL480306 1.00 KDM4E (0.41) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL234027 0.74 KDM4E (0.55) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL28283233 0.74 KDM4E (0.55) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL21950883 0.73 KDM4E (0.43) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL317949 0.73 MAPT (0.50) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL2620018 0.73 MAPT (0.50) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL20450103 0.73 OAT (0.33)
SCHEMBL5658455 0.71 ALDH1A1 (0.41) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL7566870 0.70 MAPT (0.47) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL7567655 0.70 MAPT (0.47) KDM4EMAPTKMT2AALOX15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3022178-B1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LTD (GB) 2018-12-26 EP disclosed
EP-2552891-B1 TRICYCLIC INDOLE DERIVATIVES AS PBR LIGANDS GE HEALTHCARE LTD (GB) 2018-08-08 EP disclosed
US-9815785-B2 Enantiomeric separation and purification of 2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid amide derivatives GE HEALTHCARE LIMITED (GB) 2017-11-14 US disclosed
EP-2411362-B1 Tricyclic indole derivatives as PBR ligands GE HEALTHCARE LTD (GB) 2017-05-31 EP disclosed
US-20160168091-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2016-06-16 US disclosed
EP-3022178-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES GE Healthcare Limited (GB) 2016-05-25 EP disclosed
US-9314541-B2 In vivo imaging method for cancer GE HEALTHCARE LIMITED (GB) 2016-04-19 US disclosed
US-9220795-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2015-12-29 US disclosed
US-9168317-B2 In vivo imaging method of mood disorders GE HEALTHCARE LIMITED (GB) 2015-10-27 US disclosed
WO-2015040087-A1 MACROPHAGE IMAGING GE HEALTHCARE LIMITED (GB) 2015-03-26 WO disclosed
US-8790619-B2 Indole derivatives GE HEALTHCARE LIMITED (GB) 2014-07-29 US disclosed
EP-2621544-A1 IN VIVO IMAGING METHOD FOR CANCER GE Healthcare UK Limited (GB) 2013-08-07 EP disclosed
US-8501153-B2 Active enantiomer GE HEALTHCARE LIMITED (GB) 2013-08-06 US disclosed
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2013-07-18 US disclosed
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS GE HEALTHCARE LIMITED (GB) 2013-07-11 US disclosed
WO-2012041953-A1 IN VIVO IMAGING METHOD FOR CANCER GE HEALTHCARE LIMITED (GB) 2012-04-05 WO disclosed
EP-2411362-A2 INDOLE DERIVATIVES GE Healthcare UK Limited (GB) 2012-02-01 EP disclosed
US-20120020884-A1 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2012-01-26 US disclosed
US-20110070161-A1 ACTIVE ENANTIOMER GE HEALTHCARE LIMITED (GB) 2011-03-24 US disclosed
WO-2010109007-A2 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-30 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 (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-20120020884-A1 INDOLE DERIVATIVES IDO1, IDO2, INMT KDM4E 146/4885MAPT 2852/4885KMT2A 326/4885
US-20130183240-A1 IN VIVO IMAGING METHOD FOR CANCER MKI67, PBRM1, BRD4 KDM4E 1277/4885MAPT 4632/4885KMT2A 1543/4885
US-20110070161-A1 ACTIVE ENANTIOMER GABRA5, GABRP, GABRA4 KDM4E 1395/4885MAPT 2686/4885KMT2A 1560/4885
US-20160168091-A1 ENANTIOMERIC SEPARATION AND PURIFICATION OF 2,3,4,9-TETRAHYDRO-1H-CARBAZOLE-4-CARBOXYLIC ACID AMIDE DERIVATIVES IDO2, IDO1, TPH2 KDM4E 1531/4885MAPT 3310/4885KMT2A 1202/4885
US-20130177501-A1 IN VIVO IMAGING METHOD OF MOOD DISORDERS SLC18A2, SLC6A2, SLC6A4 KDM4E 782/4885MAPT 1078/4885KMT2A 573/4885

“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.