SCHEMBL21686403

SCHEMBL21686403

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

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.48
MAPK1 P28482 1/20 0.47
GALR3 O60755 1/20 0.43
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
XDH P47989 3/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
KMT2A Q03164 2/20 0.40
SLC5A1 P13866 1/20 0.40
MCL1 Q07820 1/20 0.40
RARB P10826 1/20 0.40
EPHX2 P34913 1/20 0.39
MEN1 O00255 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
SCHEMBL21686586 0.83 RXRA (0.58) NR1H4MAPK1KDM4EUSP2HPGD
SCHEMBL21686768 0.79 KDM4E (0.53) KDM4EUSP2HPGDHSD17B10
SCHEMBL21686699 0.79 MRGPRX4 (0.56) NR1H4KDM4EHPGDHSD17B10KMT2A
SCHEMBL21686594 0.77 NR1H4 (0.52) NR1H4KDM4EUSP2HPGDHSD17B10
SCHEMBL21686700 0.76 KMT2A (0.51) KDM4EUSP2HPGDHSD17B10KMT2A
SCHEMBL19019858 0.74 NR1H4 (0.76) NR1H4MAPK1KDM4EHSD17B10KMT2A
Hydrochloric Acid SCHEMBL6346247 0.72 RXRA (0.54) KDM4EUSP2HPGDHSD17B10RXRA
1,3-Diisopentoxybenzene SCHEMBL2846359 0.72 TDP1 (0.57) NR1H4MAPK1GALR3HSP90AA1KDM4E
SCHEMBL21686405 0.71 KDM4E (0.65) KDM4EUSP2HPGDHSD17B10
SCHEMBL19886118 0.71 KDM4E (0.61) MAPK1KDM4EHPGDHSD17B10XDH

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 NR1H4 2999/4885MAPK1 1315/4885GALR3 4410/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 NR1H4 2999/4885MAPK1 1315/4885GALR3 4410/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 NR1H4 2999/4885MAPK1 1315/4885GALR3 4410/4885

“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.