SCHEMBL3400677

SCHEMBL3400677

CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](Oc1ccc3c(-c4ccccc4)cc(=O)oc3c1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
HPGD P15428 9/20 0.51
KDM4E B2RXH2 5/20 0.51
HTT P42858 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
USP2 O75604 1/20 0.49
CA9 Q16790 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.47
ESR1 P03372 1/20 0.46
RECQL P46063 2/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 3/20 0.45
CA12 O43570 1/20 0.43
ALDH2 P05091 1/20 0.43
AKR1B1 P15121 1/20 0.43
MAOA P21397 1/20 0.43
HSD17B3 P37058 1/20 0.43

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
SCHEMBL3400683 1.00 ALDH1A1 (0.51) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL3399289 0.83 MAOA (0.41) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL3399293 0.83 MAOA (0.41) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL1011111 0.81 MAOA (0.47) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL4438932 0.80 KDM4E (0.42) ALDH1A1HPGDKDM4EHTTKMT2A
SCHEMBL1091721 0.78 CA12 (0.46) ALDH1A1HPGDKDM4EMAPTCA9
SCHEMBL1949494 0.78 MAOA (0.47) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL1949495 0.78 MAOA (0.47) ALDH1A1HPGDKDM4EKMT2AMAPT
SCHEMBL3124968 0.77 CHRM2 (0.56)
SCHEMBL12345379 0.77 CHRM2 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121678-B1 NOVEL CHROMEN-2-ONE DERIVATIVES AND THEIR USE AS MONOAMINE NEUROTRANSMITTER RE-UPTAKE INHIBITORS NEUROSEARCH AS (DK) 2010-11-03 EP disclosed
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 ALDH1A1 1001/4885HPGD 1545/4885KDM4E 1135/4885

“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.