SCHEMBL21686586

SCHEMBL21686586

CCOc1cccc(-c2ccc(C(=O)O)[nH]2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.58
RXRB P28702 1/20 0.58
MAPT P10636 3/20 0.55
KDM4E B2RXH2 3/20 0.55
GAA P10253 2/20 0.55
THRB P10828 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ALPL P05186 1/20 0.45
FABP1 P07148 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PTGS2 P35354 1/20 0.44
FFAR1 O14842 1/20 0.44
TP53 P04637 1/20 0.43
NOTUM Q6P988 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
ICMT O60725 1/20 0.43

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
SCHEMBL21686768 0.84 KDM4E (0.53) MAPTKDM4EGAAUSP2HPGD
SCHEMBL21686699 0.84 MRGPRX4 (0.56) KDM4EHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL21686403 0.83 NR1H4 (0.48) RXRARXRBKDM4EUSP2HPGD
SCHEMBL21686594 0.82 NR1H4 (0.52) KDM4EUSP2HPGDHSD17B10FABP1
SCHEMBL21686700 0.81 KMT2A (0.51) KDM4EGAAUSP2HPGDHSD17B10
SCHEMBL21686696 0.78 BCL2 (0.55) RXRARXRBKDM4EUSP2HPGD
SCHEMBL21686405 0.76 KDM4E (0.65) KDM4EUSP2HPGDHSD17B10L3MBTL1
SCHEMBL21686601 0.74 KDM4E (0.53) KDM4EUSP2HPGDHSD17B10DHODH
SCHEMBL18314425 0.74 RXRA (1.00) RXRARXRBFABP1SMN1; SMN2FFAR1
SCHEMBL4758879 0.74 RXRA (1.00) RXRARXRBFABP1SMN1; SMN2FFAR1

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 RXRA 1939/4885RXRB 1767/4885MAPT 3824/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 RXRA 1939/4885RXRB 1767/4885MAPT 3824/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 RXRA 1939/4885RXRB 1767/4885MAPT 3824/4885

“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.