SCHEMBL20173510

SCHEMBL20173510

CC(=O)N1CC(=O)CCC1=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 12/20 0.38
HSD17B3 P37058 3/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
GLA P06280 1/20 0.32

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
SCHEMBL27345694 0.81 NOTUM (0.38) NOTUMHSD17B3CYP2D6CYP2C9LMNA
SCHEMBL64071 0.79 NOTUM (0.43) NOTUMHSD17B3CYP2D6CYP2C9POLB
SCHEMBL28001295 0.78 LMNA (0.35) LMNA
SCHEMBL12254228 0.76 MEN1 (0.39) CYP2D6CYP2C9LMNAGLA
SCHEMBL4728242 0.75
SCHEMBL14269349 0.73 ALDH1A1 (0.40) POLB
SCHEMBL185461 0.71
SCHEMBL641600 0.70 LMNA (0.52) NOTUMCYP2D6CYP2C9LMNAPOLB
SCHEMBL11174570 0.70 NOTUM (0.37) NOTUMHSD17B3CYP2D6CYP2C9POLB
SCHEMBL887169 0.69 NOTUM (0.42) NOTUMCYP2D6CYP2C9POLBGLA

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-20180140600-A1 DEUTERATED DEHYDROPHENYLAHISTIN COMPOUNDS AND PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS SHENZHEN HUAHONG MARINE BIOMEDICINE CO., LTD (CN) 2018-05-24 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-20180140600-A1 DEUTERATED DEHYDROPHENYLAHISTIN COMPOUNDS AND PREPARATION METHOD THEREOF AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUGS DHPS, DHODH, DHFR NOTUM 2842/4885HSD17B3 82/4885CYP2D6 163/4885

“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.