SCHEMBL21628592

SCHEMBL21628592

CCC(CC)c1ccc(Oc2ncc(C(=O)OC)cc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.45
PTGER2 P43116 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DPP4 P27487 2/20 0.38
LMNA P02545 2/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
MAPT P10636 1/20 0.37
VNN1 O95497 1/20 0.36
LTA4H P09960 2/20 0.36
KCNH2 Q12809 1/20 0.36
MAPK1 P28482 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL21628677 0.90 S1PR1 (0.45) PTGER4LMNAS1PR1S1PR3MAPT
SCHEMBL21628417 0.88 PTGER4 (0.51) PTGER4PTGER2LTA4HKCNH2FFAR1
SCHEMBL21628827 0.87 PTGER4 (0.46) PTGER4PTGER2HDAC8HDAC6TSHR
SCHEMBL21628530 0.87 HDAC6 (0.52) PTGER4PTGER2HDAC8HDAC6LTA4H
SCHEMBL21628914 0.87 PTGER4 (0.43) PTGER4PTGER2HDAC8HDAC6LTA4H
SCHEMBL21628555 0.87 PTGER4 (0.44) PTGER4PTGER2DPP4LMNAMAPT
SCHEMBL21628482 0.85 VNN1 (0.44) PTGER4PTGER2LMNAMAPTVNN1
SCHEMBL21628497 0.85 PTGER4 (0.42) PTGER4PTGER2HDAC8HDAC6LTA4H
SCHEMBL21656919 0.84 LMNA (0.43) PTGER4PTGER2DPP4LMNAMAPK1
SCHEMBL21628625 0.83 TDP1 (0.46) PTGER4LMNAMAPTMAPK1TSHR

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 9 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-20220348535-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2022-11-03 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 (7 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 4323/4885HDAC8 768/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885HDAC8 768/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK PTGER4 4252/4885PTGER2 4166/4885HDAC8 883/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885HDAC8 768/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR PTGER4 3926/4885PTGER2 3679/4885HDAC8 699/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885HDAC8 768/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK PTGER4 4387/4885PTGER2 4323/4885HDAC8 768/4885

“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.