SCHEMBL27448322

SCHEMBL27448322

CC(CCC(C)c1ccc(-n2ccnn2)cc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 4/20 0.55
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ CYP17A1 P05093 1/20 0.43
▸ ALDH1A1 P00352 5/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL24171019 0.76 ALDH1A1 (0.50) CYP17A1ALDH1A1MAPTKDM4EALOX15
SCHEMBL19928242 0.73 MEN1 (0.55) CYP17A1ALDH1A1MAPTKDM4EALOX15
SCHEMBL29471927 0.72 MAPK8 (0.56) NOTUMMAPK8MAPK10ALDH1A1MAPT
SCHEMBL12794021 0.72 NOTUM (1.00) NOTUMALDH1A1CYP19A1
SCHEMBL14527010 0.71 NOTUM (0.56) NOTUMALDH1A1MAPTKDM4EALOX15
SCHEMBL20444421 0.71 NOTUM (0.50) NOTUMCYP19A1
SCHEMBL29379034 0.70 MAPT (0.47) MAPK8MAPK10ALDH1A1MAPTKDM4E
SCHEMBL18865691 0.70 NOTUM (0.74) NOTUMALDH1A1CYP19A1
SCHEMBL25045427 0.69 NOTUM (0.68) NOTUMCYP19A1
SCHEMBL2627852 0.69 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EALOX15MAPK1

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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF SICHUAN HUIYU PHARMACEUTICAL CO., LTD. (CN) 2024-07-04 — — 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-20240216357-A1 POLYCYCLIC COMPOUND AND APPLICATION THEREOF KDM1A, TET1, KDM3A NOTUM 689/4885MAPK8 3163/4885MAPK10 3671/4885

“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.

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