SCHEMBL5617544

SCHEMBL5617544

Cc1c(C)c2ccc(OCc3cc(C4CCOC4)no3)cc2oc1=O

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.49
MAOB P27338 9/20 0.49
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOA P21397 3/20 0.47
KCNH2 Q12809 1/20 0.46

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
SCHEMBL7294324 0.94 MAOB (0.51) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL7303830 0.90 ACHE (0.55) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL7307720 0.90 RAB9A (0.39) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL5617681 0.88 MAOB (0.53) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL7295636 0.88 MAOB (0.53) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL5618127 0.87 MAOB (0.52) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL9135893 0.83 RAB9A (0.39) RAB9A
SCHEMBL7301295 0.79 ACHE (0.62) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL7294118 0.77 ALDH1A1 (0.57) ACHEMAOBALDH1A1POLBHSP90AA1
SCHEMBL7302328 0.77 ACHE (0.56) ACHEMAOBALDH1A1POLBHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
EP-0363796-B1 HETEROCYCLICALLY SUBSTITUTED ALKOXYCOUMARINES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL AGENTS CONTAINING SAME BASF Aktiengesellschaft (DE) 1993-08-11 EP disclosed
US-5227392-A Monoamine oxidase inhibitors BASF AKTIENGESELLSCHAFT (DE) 1993-07-13 US disclosed
US-5073563-A Enzyme inhibitors, CNS BASF AKTIENGESELLSCHAFT (DE) 1991-12-17 US disclosed
EP-0363796-A1 Heterocyclically substituted alkoxycoumarines, method for their preparation and therapeutical agents containing same BASF Aktiengesellschaft (DE) 1990-04-18 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 ACHE 639/4885MAOB 1/4885ALDH1A1 664/4885

“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.