SCHEMBL1920139

SCHEMBL1920139

BrCC1CCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.39
CYP1A2 P05177 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
SIGMAR1 Q99720 3/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
ACHE P22303 1/20 0.33
EPHX1 P07099 2/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
ALOX5 P09917 1/20 0.32

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
SCHEMBL18458275 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL13430643 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL20491430 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL14185446 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL2961995 1.00
SCHEMBL7113798 1.00 CHRM5 (0.39) CHRM5CYP1A2ADRA2CCHRM2CHRM4
SCHEMBL10793 1.00
SCHEMBL1345379 0.97
SCHEMBL5346771 0.97
SCHEMBL7846 0.96

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11124617-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2021-09-21 US disclosed
EP-2836539-B1 MATERIALS COATED WITH CALIXARENES UNIV LIBRE DE BRUXELLES ULB (BE) 2019-09-18 EP disclosed
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-08-01 US disclosed
US-10329232-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2019-06-25 US disclosed
CN-104487496-B The material coated through calixarenes 布鲁塞尔私立大学 2018-09-18 CN disclosed
EP-2522669-B1 3-Spirocyclic indolyl derivatives useful as ORL-1 receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2016-12-28 EP disclosed
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES UNIVERSITÉ PARIS CITÉ (FR) 2015-03-05 US disclosed
EP-2836539-A1 MATERIALS COATED WITH CALIXARENES Université Libre de Bruxelles (ULB) (BE) 2015-02-18 EP disclosed
EP-2703404-A1 Buprenorphine analogs Purdue Pharma L.P. (US) 2014-03-05 EP disclosed
EP-2326651-B1 BUPRENORPHINE ANALOGS PURDUE PHARMA LP (US) 2013-11-27 EP disclosed
EP-0858464-A1 THROMBIN INHIBITORS Akzo Nobel N.V. (NL) 1998-08-19 EP disclosed
WO-1998007308-A2 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1998-02-26 WO disclosed
WO-1997031939-A1 SERINE PROTEASE INHIBITORS AKZO NOBEL N.V. (NL) 1997-09-04 WO disclosed
WO-1997017363-A1 THROMBIN INHIBITORS AKZO NOBEL N.V. (NL) 1997-05-15 WO disclosed
EP-0000951-B1 PHARMACEUTICAL FORMULATIONS COMPRISING 1-SUBSTITUTED IMIDAZOLES, 1-SUBSTITUTED IMIDAZOLES AND 1-SUBSTITUTED IMIDAZOLES FOR USE IN THE TREATMENT OR PROPHYLAXIS OF THROMBO-EMBOLIC DISORDERS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-23 EP disclosed
EP-0000950-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF AND THEIR SYNTHESIS THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP disclosed
US-4317830-A ANTISHOCK AGENTS, ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1982-03-02 US disclosed
US-4284641-A ANTITHROMBOEMBOLIC AGENT BURROUGHS WELLCOME CO. (US) 1981-08-18 US disclosed
EP-0000950-A1 Imidazole derivatives and salts thereof and their synthesis THE WELLCOME FOUNDATION LIMITED (GB) 1979-03-07 EP disclosed
EP-0000951-A1 Pharmaceutical Formulations comprising 1-substituted imidazoles, 1-substituted imidazoles and 1-substituted imidazoles for use in the treatment or prophylaxis of thrombo-embolic disorders THE WELLCOME FOUNDATION LIMITED (GB) 1979-03-07 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 (4 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-11124617-B2 Materials coated with calixarenes CALD1, CALU, CALR CHRM5 1530/4885CYP1A2 1780/4885ADRA2C 1667/4885
US-10329232-B2 Materials coated with calixarenes CALU, CALD1, CALR CHRM5 2623/4885CYP1A2 2082/4885ADRA2C 1830/4885
US-20150064455-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR CHRM5 1530/4885CYP1A2 1780/4885ADRA2C 1667/4885
US-20190233358-A1 MATERIALS COATED WITH CALIXARENES CALD1, CALU, CALR CHRM5 1530/4885CYP1A2 1780/4885ADRA2C 1667/4885

“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.