SCHEMBL21628805

SCHEMBL21628805

CCCc1ccc(Oc2ncc(C(=O)O)cc2F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.46
PTGER2 P43116 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RARB P10826 1/20 0.42
GRM2 Q14416 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
P2RX3 P56373 1/20 0.40
PPARG P37231 2/20 0.40
P2RY14 Q15391 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 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
SCHEMBL21628425 0.93 RARB (0.48) PTGER4PTGER2SMN1; SMN2RAB9ANPC1
SCHEMBL21628886 0.92 RARB (0.53) PTGER4SMN1; SMN2RAB9ANPC1RARB
SCHEMBL21628429 0.91 RARB (0.55) SMN1; SMN2RAB9ANPC1RARBALDH1A1
SCHEMBL21628506 0.90 RXRA (0.49) PTGER4PTGER2SMN1; SMN2RAB9ANPC1
SCHEMBL21628512 0.89 OPRM1 (0.43) PTGER4RAB9ASENP8SENP7SENP6
SCHEMBL21628424 0.88 VNN1 (0.42) PTGER4SMN1; SMN2RAB9ANPC1SENP8
SCHEMBL21628761 0.87 MAOB (0.46) PTGER4SENP8SENP7SENP6P2RX3
SCHEMBL21628586 0.87 ALDH1A1 (0.41) PTGER4SMN1; SMN2RAB9ANPC1SENP8
SCHEMBL21628686 0.87 PLK1 (0.51) PTGER4PTGER2SMN1; SMN2RAB9ASENP8
SCHEMBL21628856 0.87 PTGER4 (0.44) PTGER4PTGER2RAB9ASENP8SENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12600696-B2 Aromatic compounds Xeniopro GmbH (DE) 2026-04-14 US disclosed
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-12-21 US disclosed
US-20230150923-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2023-05-18 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-11591289-B2 Aromatic compounds Xeniopro GmbH (DE) 2023-02-28 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 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 (6 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-20230150923-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885SMN1; SMN2 796/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PTGER4 4252/4885PTGER2 4166/4885SMN1; SMN2 1107/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885SMN1; SMN2 796/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PTGER4 3926/4885PTGER2 3679/4885SMN1; SMN2 919/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885SMN1; SMN2 796/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885SMN1; SMN2 796/4885

“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.