SCHEMBL21628656

SCHEMBL21628656

CCOC(=O)c1ccc(Oc2ccc(C3CCCCC3)cc2)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
OPRK1 P41145 9/20 0.45
OPRM1 P35372 8/20 0.45
OPRD1 P41143 6/20 0.45
ALOX15 P16050 2/20 0.44
MAPK1 P28482 1/20 0.44
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 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
SCHEMBL21628564 1.00 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL21628580 0.99 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL21628523 0.97 OPRK1 (0.46) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL21628635 0.94 OPRK1 (0.45) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL21628529 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL21628766 0.87 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL21628801 0.86 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1
SCHEMBL19357342 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL21656854 0.84 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MAPTALOX15MAPK1
SCHEMBL21628462 0.83 KMO (0.49) ALDH1A1SMN1; SMN2MAPTOPRK1OPRM1

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 ALDH1A1 717/4885SMN1; SMN2 796/4885MAPT 2272/4885
US-20220348535-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885SMN1; SMN2 796/4885MAPT 2272/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK ALDH1A1 900/4885SMN1; SMN2 1107/4885MAPT 2195/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885SMN1; SMN2 796/4885MAPT 2272/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR ALDH1A1 929/4885SMN1; SMN2 919/4885MAPT 4404/4885
US-20230406814-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885SMN1; SMN2 796/4885MAPT 2272/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK ALDH1A1 717/4885SMN1; SMN2 796/4885MAPT 2272/4885

“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.