SCHEMBL6797543

SCHEMBL6797543

COc1ccc2c(c1)[C@H](O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 4/20 0.51
MTNR1A P48039 3/20 0.50
CHRNA7 P36544 1/20 0.50
NQO2 P16083 1/20 0.49
KDM1A O60341 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
GID4 Q8IVV7 1/20 0.48
SIGMAR1 Q99720 1/20 0.47

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
SCHEMBL6805525 1.00 MTNR1B (0.51) MTNR1BMTNR1ACHRNA7NQO2KDM1A
SCHEMBL1478135 1.00 MTNR1B (0.51) MTNR1BMTNR1ACHRNA7NQO2KDM1A
SCHEMBL326892 0.90 MTNR1A (0.54) MTNR1BMTNR1ANQO2HTR2AHTR2C
SCHEMBL11142664 0.89 HTR2A (0.47) MTNR1BMTNR1ANQO2HTR2AHTR2C
SCHEMBL345441 0.87 CHRNA7 (0.50) CHRNA7HTR2CGID4SIGMAR1
SCHEMBL3069878 0.82 CHRNA7 (0.49) CHRNA7HTR2C
SCHEMBL29588202 0.81 HTR2C (0.62) MTNR1BMTNR1ACHRNA7KDM1AMAOA
SCHEMBL2970487 0.81 HTR2C (0.62) MTNR1BMTNR1ACHRNA7KDM1AMAOA
SCHEMBL13306289 0.81 HTR2C (0.62) MTNR1BMTNR1ACHRNA7KDM1AMAOA
SCHEMBL6797994 0.81 HTR2C (0.62) MTNR1BMTNR1ACHRNA7KDM1AMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6750243-B1 COMPETITIVE INHIBITORS OF TRYPSIN-LIKE SERINE PROTEASES, ESPECIALLY THROMBIN; chemical synthesis; anticoagulants; treatment of thrombosis AstraZeneća AB (SE) 2004-06-15 US claimed
EP-2772476-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL HAMARI CHEMICALS LTD (JP) 2017-01-11 EP disclosed
US-9174899-B2 Method for producing optically active alcohols HAMARI CHEMICALS, LTD. (JP) 2015-11-03 US disclosed
US-20140296584-A1 Method for Producing Optically Active Alcohols HAMARI CHEMICALS, LTD. (JP) 2014-10-02 US disclosed
EP-2772476-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL Hamari Chemicals, Ltd. (JP) 2014-09-03 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-20140296584-A1 Method for Producing Optically Active Alcohols ADH5, ADH1C, ADH1A MTNR1B 3389/4885MTNR1A 3907/4885CHRNA7 1950/4885

“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.