SCHEMBL24328792

SCHEMBL24328792

N#Cc1ccc2c(c1)OCC(O)O2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
DRD2 P14416 11/20 0.39
DRD3 P35462 11/20 0.39
HCRTR2 O43614 1/20 0.38
FFAR1 O14842 1/20 0.37
PTGS2 P35354 1/20 0.36
ABCC9 O60706 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 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
SCHEMBL24328866 0.80 FFAR1 (0.44) DAODRD2DRD3FFAR1MAPT
SCHEMBL24328794 0.77 FFAR1 (0.43) DAODRD2DRD3FFAR1MAPT
SCHEMBL13387495 0.77 PTGS2 (0.43) PTGS2ABCC9
SCHEMBL24328798 0.76 DAO (0.38) DAODRD2DRD3HCRTR2FFAR1
SCHEMBL6013994 0.75 CYP3A4 (0.53) DRD2DRD3
SCHEMBL19346227 0.74 CA2 (0.41) MAPTSMN1; SMN2ALDH1A1
SCHEMBL8207143 0.73 DRD2 (0.42) DAODRD2DRD3HCRTR2FFAR1
SCHEMBL8207140 0.73 DAO (0.40) DAODRD2DRD3HCRTR2FFAR1
SCHEMBL6738922 0.73 FFAR1 (0.49) DAODRD2DRD3FFAR1PTGS2
SCHEMBL18216493 0.73 XDH (0.32)

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.