SCHEMBL24328865

SCHEMBL24328865

N#Cc1ccc(O)c(OCC2CO2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 4/20 0.42
TSHR P16473 3/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DRD4 P21917 1/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
PKM P14618 2/20 0.39
PPARG P37231 2/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36

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
SCHEMBL24328793 0.85 DRD4 (0.37) ALDH1A1TP53DRD4MAPTHPGD
SCHEMBL26750381 0.84 ALDH1A1 (0.58) ALDH1A1GLATDP1TP53TSHR
SCHEMBL11749561 0.81 AR (0.50) ALDH1A1GLATDP1TP53TSHR
SCHEMBL11761868 0.81 AR (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL6618622 0.80 ALDH1A1 (0.57) ALDH1A1GLATDP1TP53TSHR
SCHEMBL7059201 0.80 ALDH1A1 (0.47) ALDH1A1GLATDP1TP53TSHR
SCHEMBL28227853 0.79 ALDH1A1 (0.44) ALDH1A1GLATDP1TP53TSHR
SCHEMBL3354399 0.78 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53TSHR
SCHEMBL4177996 0.78 ALDH1A1 (0.46) ALDH1A1GLATDP1TP53TSHR
SCHEMBL17885761 0.77 ALDH1A1 (0.50) ALDH1A1GLATDP1TP53TSHR

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 4 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-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 ALDH1A1 2649/4885GLA 111/4885TDP1 504/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 ALDH1A1 2584/4885GLA 157/4885TDP1 490/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR ALDH1A1 2784/4885GLA 233/4885TDP1 492/4885

“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.