SCHEMBL2581111

SCHEMBL2581111

BrCCCC(Cc1ccccc1)OC(CCCBr)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
EPHX1 P07099 1/20 0.39
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CTSK P43235 3/20 0.38
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
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CYP1A2 P05177 1/20 0.35
CPA1 P15085 1/20 0.35
FOLH1 Q04609 1/20 0.35

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
SCHEMBL28990365 0.93 TDP1 (0.38) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL453958 0.88 TDP1 (0.43) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL4953348 0.82 CTSK (0.51) CTSKTAAR1SLC6A2SIGMAR1MAOA
SCHEMBL106764 0.79 EPHX1 (0.44) TDP1EPHX1TRPA1ALDH1A1TSHR
SCHEMBL9233306 0.79 CSNK1E (0.53) CTSKSIGMAR1CTSLCTSB
SCHEMBL7889486 0.79 EPHX1 (0.52) EPHX1TRPA1TSHRTAAR1SLC6A2
SCHEMBL22122569 0.78 SIGMAR1 (0.47) EPHX1TRPA1CTSKTAAR1SLC6A2
SCHEMBL21268579 0.78 CSNK1E (0.55) CTSKCTSLCTSB
SCHEMBL21268585 0.78 CSNK1E (0.55) CTSKCTSLCTSB
SCHEMBL21268584 0.78 CSNK1E (0.55) CTSKCTSLCTSB

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 16 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
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 TDP1 581/4885EPHX1 3573/4885TRPA1 3222/4885
US-20080038242-A1 Benzimidazole derivatives and medical uses thereof SLCO1B3, SLCO2A1, SLCO2B1 TDP1 2326/4885EPHX1 2367/4885TRPA1 2932/4885
US-20100121059-A1 5-PHENOXYALKOXYPSORALENS AND METHODS FOR SELECTIVE INHIBITION OF THE VOLTAGE GATED Kv1.3 POTASSIUM CHANNEL KCNA3, KCNJ2, KCNQ1 TDP1 1207/4885EPHX1 3223/4885TRPA1 128/4885
US-20060079535-A1 5-phenoxyalkoxypsoralens and methods for selective inhibition of the voltage gated Kv1.3 potassium channel KCNA3, KCNJ2, KCNQ1 TDP1 1207/4885EPHX1 3223/4885TRPA1 128/4885
US-20040152687-A1 Porphyrin-polyamine conjugates for cancer therapy SRM, PAICS, FOLH1 TDP1 581/4885EPHX1 3573/4885TRPA1 3222/4885

“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.