SCHEMBL13614586

SCHEMBL13614586

O=c1ccc2ccc(O[C@@H]3C[C@@H]4CC[C@@H](C4)C3)cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.56
CA12 O43570 11/20 0.53
CA9 Q16790 11/20 0.53
CA1 P00915 10/20 0.53
CA6 P23280 5/20 0.53
CA7 P43166 5/20 0.53
CA14 Q9ULX7 5/20 0.53
CA4 P22748 5/20 0.53
KDM4E B2RXH2 3/20 0.53
CA5A P35218 3/20 0.53
CA3 P07451 3/20 0.53
ALDH1A1 P00352 2/20 0.53
AKR1B1 P15121 1/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GLA P06280 3/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 2/20 0.50
CA5B Q9Y2D0 3/20 0.49
CYP1A2 P05177 1/20 0.49

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
SCHEMBL12337641 1.00 MAOA (0.56) MAOACA12CA9CA1CA6
SCHEMBL14515315 0.84 MAOA (0.54) MAOACA12CA9CA1CA6
SCHEMBL14515224 0.84 MAOA (0.54) MAOACA12CA9CA1CA6
SCHEMBL14515212 0.84 MAOA (0.54) MAOACA12CA9CA1CA6
SCHEMBL14515312 0.84 MAOA (0.54) MAOACA12CA9CA1CA6
SCHEMBL14539461 0.84 MAOA (0.54) MAOACA12CA9CA1CA6
SCHEMBL14515223 0.84 MAOA (0.54) MAOACA12CA9CA1CA6
SCHEMBL16674816 0.84 MAOA (0.68) MAOACA12CA9CA1CA6
Ip-2018 SCHEMBL25368803 0.83 SLC6A4 (0.59) MAOACA12CA9CA1CA6
Ip-2018 SCHEMBL1103728 0.83 SLC6A4 (0.59) MAOACA12CA9CA1CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH A/S (DK) 2009-12-17 US 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-20090312364-A1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS SLC6A2, SLC18A2, SLC18A1 MAOA 7/4885CA12 3506/4885CA9 4370/4885

“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.