SCHEMBL21474429

SCHEMBL21474429

OCc1cc(O)cc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.58
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
IDO1 P14902 4/20 0.45
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
PTGS1 P23219 3/20 0.37
TACR1 P25103 2/20 0.36
KIF11 P52732 2/20 0.35
CES2 O00748 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
ACP3 P15309 1/20 0.34

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
SCHEMBL265486 0.86 IDO1 (0.52) ACHERXRARXRBRXRGIDO1
SCHEMBL21945061 0.83 IDO1 (0.50) IDO1TACR1CES2GABRA1GABRB2
SCHEMBL21944995 0.83 IDO1 (0.50) ACHERXRARXRBRXRGIDO1
SCHEMBL30056909 0.81 IDO1 (0.44) IDO1PTGS1TACR1KIF11GABRA1
SCHEMBL2456646 0.81 IDO1 (0.48) ACHEIDO1PTGS1TACR1
SCHEMBL13070067 0.81 IDO1 (0.44) IDO1PTGS1TACR1KIF11GABRA1
SCHEMBL17703931 0.81 IDO1 (0.44) ACHEIDO1PTGS1TACR1KIF11
SCHEMBL29876769 0.78 RXRA (0.46) ACHERXRARXRBRXRGIDO1
SCHEMBL3279035 0.78 RXRA (0.46) ACHERXRARXRBRXRGIDO1
SCHEMBL12115600 0.78 GABRA1 (0.62) ACHERXRARXRBRXRGGABRA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941148-B2 EP4 antagonists EISAI R&D MANAGEMENT CO., LTD. (JP) 2021-03-09 US disclosed
US-20190315754-A1 EP4 ANTAGONISTS EISAI R&D MANAGEMENT CO., LTD. (JP) 2019-10-17 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 (2 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-10941148-B2 EP4 antagonists PTGER4, PTGER3, PTGER1 ACHE 3441/4885RXRA 1508/4885RXRB 1095/4885
US-20190315754-A1 EP4 ANTAGONISTS PTGER4, PTGER3, PTGER1 ACHE 3441/4885RXRA 1508/4885RXRB 1095/4885

“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.