SCHEMBL17523293

SCHEMBL17523293

C[C@@]1(c2ccc(Cl)cc2)OC(=O)C[C@H]1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
SLC6A9 P48067 1/20 0.40
KDM1A O60341 6/20 0.39
RCOR1 Q9UKL0 2/20 0.39
HSD11B1 P28845 4/20 0.39
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LIG1 P18858 1/20 0.37
POLB P06746 2/20 0.37
MAOA P21397 4/20 0.37
MAOB P27338 4/20 0.37
SLC6A3 Q01959 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL17523302 1.00 OPRM1 (0.40) OPRM1SLC6A9KDM1ARCOR1HSD11B1
SCHEMBL17523288 0.90 KDM1A (0.42) SLC6A9KDM1AHSD11B1ALDH1A1MAPT
SCHEMBL17523290 0.90 KDM1A (0.42) SLC6A9KDM1AHSD11B1ALDH1A1MAPT
SCHEMBL17523292 0.87 SLC6A9 (0.40) OPRM1SLC6A9KDM1AALDH1A1MAOA
SCHEMBL17523291 0.87 SLC6A9 (0.40) OPRM1SLC6A9KDM1AALDH1A1MAOA
SCHEMBL17523304 0.86 CYP2C9 (0.44) KDM1ARCOR1HSD11B1ALDH1A1KMT2A
SCHEMBL17523295 0.86 CYP2C9 (0.44) KDM1ARCOR1HSD11B1ALDH1A1KMT2A
SCHEMBL17523297 0.81 SLC6A9 (0.40) OPRM1SLC6A9KDM1AALDH1A1MAPT
SCHEMBL17523298 0.81 SLC6A9 (0.40) OPRM1SLC6A9KDM1AALDH1A1MAPT
SCHEMBL17523299 0.80 KDM1A (0.46) KDM1ARCOR1HSD11B1ALDH1A1MEN1

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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-02-11 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-20160039827-A1 ACTIVATION OF CARBONYL BETA-CARBONS FOR CHEMICAL TRANSFORMATIONS CBR1, CBR3, CAT OPRM1 1153/4885SLC6A9 2425/4885KDM1A 3183/4885

“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.