SCHEMBL21628778

SCHEMBL21628778

CCCCc1ccc(Oc2ccc(C(=O)NO)cc2F)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.54
S1PR1 P21453 1/20 0.53
S1PR3 Q99500 1/20 0.53
OPRM1 P35372 2/20 0.49
OPRK1 P41145 2/20 0.49
HDAC3 O15379 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PLK1 P53350 1/20 0.47
LPAR1 Q92633 1/20 0.46
LPAR5 Q9H1C0 1/20 0.46

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
SCHEMBL21628860 0.96 SMPD1 (0.58) SMPD1S1PR1S1PR3OPRM1OPRK1
SCHEMBL21628733 0.95 SMPD1 (0.60) SMPD1S1PR1S1PR3
SCHEMBL21628787 0.93 OPRM1 (0.51) SMPD1S1PR1S1PR3OPRM1OPRK1
SCHEMBL21628775 0.91 PLK1 (0.60) SMPD1S1PR1S1PR3PLK1LPAR1
SCHEMBL21628403 0.88 OPRM1 (0.52) SMPD1OPRM1OPRK1HDAC3HDAC1
SCHEMBL21628799 0.87 PLK1 (0.56) SMPD1S1PR1S1PR3PLK1
SCHEMBL21628589 0.87 S1PR1 (0.52) S1PR1S1PR3PLK1LPAR1LPAR5
SCHEMBL21628596 0.86 RARB (0.57) S1PR1S1PR3LPAR1LPAR5
SCHEMBL21628910 0.86 PLK1 (0.54) SMPD1S1PR1S1PR3PLK1
SCHEMBL21628641 0.85 S1PR1 (0.55) S1PR1S1PR3OPRM1OPRK1LPAR1

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 SMPD1 4524/4885S1PR1 3152/4885S1PR3 2888/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMPD1 4524/4885S1PR1 3152/4885S1PR3 2888/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK SMPD1 4504/4885S1PR1 3184/4885S1PR3 2958/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMPD1 4524/4885S1PR1 3152/4885S1PR3 2888/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR SMPD1 4059/4885S1PR1 1335/4885S1PR3 1310/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMPD1 4524/4885S1PR1 3152/4885S1PR3 2888/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK SMPD1 4524/4885S1PR1 3152/4885S1PR3 2888/4885

“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.