SCHEMBL19764435

SCHEMBL19764435

CC1CC12CCc1cc(OCc3ccccc3)ccc12

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.77
HRH3 Q9Y5N1 9/20 0.53
CYP2D6 P10635 3/20 0.47
HRH1 P35367 1/20 0.47
MAOB P27338 5/20 0.47
MAOA P21397 4/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 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
SCHEMBL19764434 0.93 KDM1A (0.78) KDM1AHRH3CYP2D6HRH1MAOB
SCHEMBL17988112 0.87 KDM1A (1.00) KDM1AHRH3CYP2D6HRH1MAOB
SCHEMBL12389735 0.83 KDM1A (0.71) KDM1AHRH3MAOBMAOA
SCHEMBL17988101 0.83 KDM1A (0.71) KDM1AHRH3MAOBMAOA
SCHEMBL17988097 0.82 KDM1A (0.65) KDM1AHRH3MAOBMAOA
SCHEMBL17988042 0.80 KDM1A (1.00) KDM1AHRH3CYP2D6HRH1MAOB
SCHEMBL17988159 0.76 KDM1A (0.72) KDM1AHRH3CYP2D6MAOBMAOA
SCHEMBL12389732 0.76 KDM1A (0.55) KDM1A
SCHEMBL17988029 0.76 KDM1A (1.00) KDM1A
SCHEMBL17963557 0.76 KDM1A (0.67) KDM1AMAOBMAOAMAPT

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-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 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-20180009735-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF KDM1B, HDAC1, DOT1L KDM1A 7/4885HRH3 589/4885CYP2D6 2782/4885

“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.