SCHEMBL21686594

SCHEMBL21686594

O=C(O)c1ccc(-c2cccc(OCC3CC3)c2)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.52
FABP1 P07148 1/20 0.48
FFAR4 Q5NUL3 2/20 0.47
LRRK2 Q5S007 1/20 0.46
PPARD Q03181 3/20 0.45
FFAR1 O14842 2/20 0.45
PPARA Q07869 1/20 0.42
PARP15 Q460N3 1/20 0.42
PARP10 Q53GL7 1/20 0.42
KDM5A P29375 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACACB O00763 2/20 0.40
ACACA Q13085 2/20 0.40
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
GRIN2D O15399 1/20 0.40

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 0.82 RXRA (0.58) NR1H4FABP1FFAR1KDM4EUSP2
SCHEMBL21686699 0.80 MRGPRX4 (0.56) NR1H4FFAR4KDM4EHPGDHSD17B10
SCHEMBL21686700 0.77 KMT2A (0.51) FABP1FFAR4FFAR1KDM4EUSP2
SCHEMBL21686768 0.77 KDM4E (0.53) KDM4EUSP2HPGDHSD17B10
SCHEMBL21686403 0.77 NR1H4 (0.48) NR1H4KDM4EUSP2HPGDHSD17B10
SCHEMBL3060401 0.74 NR1H4 (0.76) NR1H4FABP1PARP15PARP10
SCHEMBL30281276 0.74 NR1H4 (0.76) NR1H4FABP1PARP15PARP10
SCHEMBL21686601 0.70 KDM4E (0.53) KDM4EUSP2HPGDHSD17B10
SCHEMBL18114411 0.70 KDM4E (0.62) KDM4EHPGDHSD17B10GRIN2DGRIN3B
SCHEMBL4601637 0.70 RXRA (0.53) NR1H4FABP1FFAR4LRRK2PPARD

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 2999/4885FABP1 3244/4885FFAR4 4778/4885
US-20200039963-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 NR1H4 2999/4885FABP1 3244/4885FFAR4 4778/4885
US-20230118233-A1 PRC1 INHIBITORS AND METHODS OF TREATMENT THEREWITH BMI1, EZH2, CBX3 NR1H4 2999/4885FABP1 3244/4885FFAR4 4778/4885

“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.