SCHEMBL2204596

SCHEMBL2204596

ClCC1COc2ccccc2O1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.56
ADRA1A P35348 2/20 0.56
HTR1A P08908 2/20 0.56
HTT P42858 1/20 0.56
DRD1 P21728 1/20 0.56
TBXA2R P21731 1/20 0.56
SLC6A2 P23975 1/20 0.56
DRD3 P35462 1/20 0.56
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
ADRA1D P25100 1/20 0.56
ADRA1B P35368 1/20 0.56
SCN1A P35498 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
SIGMAR1 Q99720 1/20 0.54
CA2 P00918 2/20 0.53
POLB P06746 1/20 0.53
ESR2 Q92731 1/20 0.53
MTNR1A P48039 1/20 0.53

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
SCHEMBL8788249 0.85 HTT (0.61) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL896976 0.83 SMN1; SMN2 (0.55) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL11092309 0.83 SMN1; SMN2 (0.55) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL439092 0.80 ADRA2A (0.60) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL20445516 0.80 ADRA2A (0.56) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL9671960 0.80 ADRA2A (0.56) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL7199309 0.80 ADRA2A (0.56) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL3266284 0.80 ADRA2A (0.60) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL11484814 0.80 ADRA2A (0.56) ADRA2AADRA1AHTR1AHTTDRD1
SCHEMBL8186813 0.80 ADRA2A (0.60) ADRA2AADRA1AHTR1AHTTDRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061392-B A kind of guanoxan sulfate synthetic method 上海现代哈森(商丘)药业有限公司 2017-07-18 CN claimed
CN-102503929-A Synthesis method for guanoxan sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2012-06-20 CN claimed
CN-110981865-B Medicine for treating brain glioma and preparation method thereof 佳木斯大学 2021-01-12 CN disclosed
CN-110981865-A Medicine for treating brain glioma and preparation method thereof 佳木斯大学 2020-04-10 CN disclosed
CN-105061392-B A kind of guanoxan sulfate synthetic method 上海现代哈森(商丘)药业有限公司 2017-07-18 CN disclosed
CN-105061392-A Guanoxan sulfate synthesis method SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2015-11-18 CN disclosed
CN-102503929-A Synthesis method for guanoxan sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2012-06-20 CN disclosed
CN-102503929-A Synthesis method for guanoxan sulfate SHANGHAI MODERN HASEN SHANGQIU PHARMACEUTICAL CO LTD 2012-06-20 CN disclosed
US-7981912-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH LLC (US) 2011-07-19 US disclosed
US-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF WYETH (US) 2010-01-21 US disclosed
US-7601749-B2 Indole acetic acids exhibiting CRTH2 receptor antagonism and uses thereof WYETH (US) 2009-10-13 US disclosed
US-4470989-A Neuroleptic n-oxacyclyl-alkylpiperidine derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed
EP-0003560-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF, THEIR SYNTHESIS, AND PHARMACEUTICAL FORMULATIONS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-02 EP disclosed
US-4416895-A ANTICOAGULANTS, ANTISHOCK AGENTS BURROUGHS WELLCOME CO. (US) 1983-11-22 US disclosed
EP-0014295-B1 BENZODIOXAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR THERAPEUTICAL APPLICATIONS Bouchara, Emile Dr. (FR) 1983-01-19 EP disclosed
EP-0068261-A1 N-oxacyclyl-alkylpiperidine derivatives, their preparation, pharmaceutical preparations containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1983-01-05 EP disclosed
US-4309428-A Maytansinoids TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-01-05 US disclosed
EP-0025496-A1 Maytansinoids, their production and therapeutic compositions containing them Takeda Chemical Industries, Ltd. (JP) 1981-03-25 EP disclosed
EP-0014295-A1 Benzodioxan derivatives, process for their preparation and their therapeutical applications Bouchara, Emile Dr. (FR) 1980-08-20 EP disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 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 (1 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-20100016389-A1 INDOLE ACETIC ACIDS EXHIBITING CRTH2 RECEPTOR ANTAGONISM AND USES THEREOF PTGDR2, TBXA2R, HCAR2 ADRA2A 55/4885ADRA1A 256/4885HTR1A 182/4885

“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.