SCHEMBL21686595

SCHEMBL21686595

O=C(O)c1ccc(-c2ccccc2Oc2ccccc2)[nH]1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 5/20 0.52
CTNNB1 P35222 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR4 Q5NUL3 2/20 0.42
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PTGS2 P35354 1/20 0.40
HTT P42858 1/20 0.40
TTR P02766 1/20 0.40
SLC9A1 P19634 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSPO P30536 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39

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
SCHEMBL21686701 0.83 KDM4E (0.49) KMT2AKDM4EUSP2HPGDHSD17B10
Hydrochloric Acid SCHEMBL6344221 0.81 KDM4E (0.48) KMT2AKDM4EUSP2HPGDHSD17B10
SCHEMBL21686412 0.79 HPGD (0.51) KDM4EUSP2HPGDHSD17B10TTR
SCHEMBL21686408 0.78 IDO1 (0.55) KMT2AKDM4EHPGDHSD17B10
SCHEMBL28856671 0.76 BRD4 (0.52) BRD4PTGS2
SCHEMBL21686414 0.75 BRD4 (0.47) BRD4KMT2AKDM4EUSP2HPGD
SCHEMBL21686770 0.75 HPGD (0.47) KMT2AKDM4EUSP2HPGDHSD17B10
SCHEMBL24025727 0.75 BRD4 (0.49) BRD4CTNNB1KMT2AFFAR4HSD17B10
SCHEMBL21686700 0.74 KMT2A (0.51) KMT2AFFAR4KDM4EUSP2HPGD
SCHEMBL16042338 0.74 BRD4 (0.81) BRD4CTNNB1PTGS2

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-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-04-20 US disclosed
US-11319302-B2 PRC1 inhibitors and methods of treatment therewith THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-05-03 US disclosed
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-02-06 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-11319302-B2 PRC1 inhibitors and methods of treatment therewith BMI1, EZH2, CBX3 BRD4 78/4885CTNNB1 780/4885KMT2A 66/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 BRD4 78/4885CTNNB1 780/4885KMT2A 66/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 BRD4 78/4885CTNNB1 780/4885KMT2A 66/4885

“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.