SCHEMBL21628677

SCHEMBL21628677

CCOC(=O)c1cnc(Oc2ccc(C(CC)CC)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
PTGER4 P35408 2/20 0.42
MAOB P27338 3/20 0.40
CYP1A2 P05177 3/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ACACB O00763 1/20 0.39
P2RX3 P56373 1/20 0.39
F10 P00742 1/20 0.39
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL21628592 0.90 PTGER4 (0.45) S1PR1S1PR3PTGER4CYP2C9LMNA
SCHEMBL21628788 0.90 S1PR1 (0.48) S1PR1S1PR3PTGER4MAOBCYP1A2
SCHEMBL21628417 0.87 PTGER4 (0.51) PTGER4
SCHEMBL21628659 0.87 MAOB (0.52) S1PR1S1PR3MAOBCYP1A2POLB
SCHEMBL21657027 0.87 S1PR1 (0.43) S1PR1S1PR3PTGER4MAOBCYP1A2
SCHEMBL21628914 0.86 PTGER4 (0.43) PTGER4ALDH1A1
SCHEMBL21628642 0.86 MAOB (0.48) S1PR1S1PR3PTGER4MAOBCYP1A2
SCHEMBL21628497 0.84 PTGER4 (0.42) PTGER4MAOBALDH1A1ACACBF10
SCHEMBL21628827 0.84 PTGER4 (0.46) PTGER4TSHR
SCHEMBL21628530 0.84 HDAC6 (0.52) PTGER4

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 S1PR1 3152/4885S1PR3 2888/4885PTGER4 4387/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885PTGER4 4387/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK S1PR1 3184/4885S1PR3 2958/4885PTGER4 4252/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885PTGER4 4387/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR S1PR1 1335/4885S1PR3 1310/4885PTGER4 3926/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885PTGER4 4387/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK S1PR1 3152/4885S1PR3 2888/4885PTGER4 4387/4885

“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.