SCHEMBL3863496

SCHEMBL3863496

O[C@@H]1CCCC[C@@H]1c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.53
MTNR1A P48039 2/20 0.45
MTNR1B P49286 1/20 0.45
SLC6A4 P31645 6/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
DRD2 P14416 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
IDO1 P14902 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL9060529 1.00 KDM1A (0.53) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL9060534 1.00 KDM1A (0.53) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL9060540 1.00 KDM1A (0.53) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL6399776 0.81 IDO1 (0.45) MEN1KMT2AIDO1
SCHEMBL13997856 0.79 HPRT1 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL28441445 0.77 KDM1A (0.51) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL6396779 0.77 IDO1 (0.45) KDM1AMEN1KMT2AIDO1
SCHEMBL6042859 0.77 KDM1A (0.47) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL18092822 0.76 KDM1A (0.50) KDM1AMTNR1AMTNR1BSLC6A4SLC6A2
SCHEMBL9387582 0.76 KMT2A (0.65) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113354515-A Synthesis method of chiral trans-2-substituted cycloalkanol 中国科学院大连化学物理研究所 2021-09-07 CN disclosed
US-7479574-B2 Method of producing macrocyclic ketone, and intermediate thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2009-01-20 US disclosed
US-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-12-13 US disclosed
EP-1845078-A1 PROCESS FOR PRODUCING LARGE CYCLIC KETONE AND INTERMEDIATE THEREFOR Takasago International Corporation (JP) 2007-10-17 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-20070287870-A1 Method of Producing Macrocyclic Ketone, and Intermediate Thereof MSMO1, CYP17A1, DNMT1 KDM1A 558/4885MTNR1A 1822/4885MTNR1B 1060/4885

“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.