SCHEMBL24328798

SCHEMBL24328798

C=CC1COc2cc(C#N)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.38
DRD2 P14416 8/20 0.37
DRD3 P35462 8/20 0.37
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.33
HCRTR2 O43614 1/20 0.33
PKM P14618 1/20 0.32
PKLR P30613 1/20 0.32
ABCC9 O60706 1/20 0.32
PTGS2 P35354 1/20 0.32
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
P2RY6 Q15077 1/20 0.31

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
SCHEMBL24328792 0.76 DAO (0.40) DAODRD2DRD3MAPTSMN1; SMN2
SCHEMBL1567189 0.73 NISCH (0.44) DRD3MAPTCYP1A2
SCHEMBL8207140 0.73 DAO (0.40) DAODRD2DRD3MAPTSMN1; SMN2
SCHEMBL24328866 0.73 FFAR1 (0.44) DAODRD2DRD3MAPTFFAR1
SCHEMBL24328794 0.71 FFAR1 (0.43) DAODRD2DRD3MAPTFFAR1
SCHEMBL8207143 0.70 DRD2 (0.42) DAODRD2DRD3FFAR1HCRTR2
SCHEMBL140150 0.69 MAPT (0.51) MAPTSMN1; SMN2PKMPKLRABCC9
SCHEMBL30300332 0.69 MAPT (0.51) MAPTSMN1; SMN2PKMPKLRABCC9
SCHEMBL943860 0.69 PKM (0.54) MAPTSMN1; SMN2PKMPKLR
SCHEMBL204510 0.68 GRM2 (0.46) DRD2DRD3MAPTFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 US disclosed
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-03-03 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 (3 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-11377451-B2 Compositions and methods for treating cancer TP53, EGFR, SLC2A1 DAO 2943/4885DRD2 4756/4885DRD3 4808/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 DAO 2901/4885DRD2 4715/4885DRD3 4799/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR DAO 3076/4885DRD2 4694/4885DRD3 4789/4885

“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.