SCHEMBL2581115

SCHEMBL2581115

BrC(CCCOCCCC(Br)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.39
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 4/20 0.36
SLC6A2 P23975 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CYP1A2 P05177 1/20 0.35
FOLH1 Q04609 1/20 0.35
IDO1 P14902 1/20 0.34
SLC18A2 Q05940 1/20 0.34
ANPEP P15144 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
SCHEMBL28990363 0.93 CSNK1E (0.37) EPHX1TSHRMEN1KMT2ATAAR1
SCHEMBL453959 0.88 EPHX1 (0.41) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL6686321 0.80 TDP1 (0.43) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL6689791 0.78 TDP1 (0.41) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL8746092 0.78 CSNK1E (0.47) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Hydrogen Sulfide SCHEMBL4534339 0.78 TDP1 (0.41) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL6685311 0.77 TDP1 (0.40) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL6686634 0.77 TDP1 (0.40) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL7252952 0.76 EPHX1 (0.55) EPHX1TSHRTAAR1SLC6A2SIGMAR1
SCHEMBL28523845 0.76 CSNK1E (0.57) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024038866-A1 COMPOUND, COMPOSITION, SURFACE TREATMENT AGENT, COATING LIQUID, ARTICLE, AND METHOD FOR PRODUCING ARTICLE AGC株式会社 2024-02-22 WO disclosed
EP-1796674-B1 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED KV1.3 POTASSIUM CHANNEL UNIV CALIFORNIA (US) 2016-02-03 EP disclosed
US-8067460-B2 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated Kv1.3 potassium channel THE REGENTS OF THE UNIVERSITY OF CALIFONIA (US) 2011-11-29 US disclosed
CN-101801933-A quinolone derivative ASTELLAS PHARMA INC 2010-08-11 CN disclosed
US-20100121059-A1 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED Kv1.3 POTASSIUM CHANNEL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-05-13 US disclosed
US-7557138-B2 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated Kv1.3 potassium channel THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-07-07 US disclosed
EP-1796674-A4 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED KV1.3 POTASSIUM CHANNEL UNIV CALIFORNIA (US) 2009-07-01 EP disclosed
US-7547680-B2 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICALS, CO., LTD. (JP) 2009-06-16 US disclosed
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 US disclosed
EP-1796674-A2 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED KV1.3 POTASSIUM CHANNEL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-06-20 EP disclosed
US-20060276444-A1 Porphyrin-polyamine conjugates for cancer therapy PROGEN PHARMACEUTICALS, INC. 2006-12-07 US disclosed
WO-2006041800-A2 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED KV1.3 POTASSIUM CHANNEL THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-20 WO disclosed
US-20060079535-A1 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated Kv1.3 potassium channel THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-04-13 US disclosed
US-7026347-B2 Porphyrin-polyamine conjugates for cancer therapy CELLGATE, INC. (US) 2006-04-11 US disclosed
EP-1515973-A1 PORPHYRIN-POLYAMINE CONJUGATES FOR CANCER THERAPY Cellgate Inc. (US) 2005-03-23 EP disclosed
US-20040152687-A1 Porphyrin-polyamine conjugates for cancer therapy CELLGATE, INC. 2004-08-05 US disclosed
WO-2004002991-A1 PORPHYRIN-POLYAMINE CONJUGATES FOR CANCER THERAPY CELLGATE, INC. (US) 2004-01-08 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-20060276444-A1 Porphyrin-polyamine conjugates for cancer therapy SRM, PAICS, FOLH1 EPHX1 3573/4885TSHR 3082/4885MEN1 915/4885
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 EPHX1 2367/4885TSHR 1254/4885MEN1 3420/4885
US-20100121059-A1 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED Kv1.3 POTASSIUM CHANNEL KCNA3, KCNJ2, KCNQ1 EPHX1 3223/4885TSHR 2927/4885MEN1 1600/4885
US-20060079535-A1 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated Kv1.3 potassium channel KCNA3, KCNJ2, KCNQ1 EPHX1 3223/4885TSHR 2927/4885MEN1 1600/4885
US-20040152687-A1 Porphyrin-polyamine conjugates for cancer therapy SRM, PAICS, FOLH1 EPHX1 3573/4885TSHR 3082/4885MEN1 915/4885

“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.