SCHEMBL24328620

SCHEMBL24328620

O=C(O)c1ccc2c(c1F)OCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
TP53 P04637 2/20 0.40
RAB9A P51151 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CTNNB1 P35222 2/20 0.40
WNT3A P56704 1/20 0.40
PKM P14618 1/20 0.39
ASPH Q12797 1/20 0.37
KDM8 Q8N371 1/20 0.37
PTPN1 P18031 1/20 0.37
TSHR P16473 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
CASP1 P29466 1/20 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
SCHEMBL667829 0.86 MAPK1 (0.44) KDM4EALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL23112391 0.84 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL23112345 0.80 CTNNB1 (0.42) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL21262192 0.80 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL2427488 0.79 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL29091652 0.79 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL30615205 0.79 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL10792029 0.76 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL17996673 0.76 HSD17B10 (0.38) KDM4EALDH1A1HSD17B10HPGDHTT
SCHEMBL29054677 0.75 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDHTT

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 6 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
CN-115215808-A Compositions and methods for treating cancer 加利福尼亚大学董事会 2022-10-21 CN disclosed
US-11377451-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-07-05 US disclosed
WO-2022061202-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-03-24 WO 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 KDM4E 3091/4885ALDH1A1 2649/4885HSD17B10 3486/4885
US-20230364091-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, EGFR, SLC2A1 KDM4E 3422/4885ALDH1A1 2584/4885HSD17B10 3362/4885
US-20220064177-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TP53, SLC2A1, EGFR KDM4E 3386/4885ALDH1A1 2784/4885HSD17B10 3107/4885

“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.