SCHEMBL21288239

SCHEMBL21288239

COC(=O)c1ccc(Oc2ccc(C3CC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSD17B10 Q99714 3/20 0.49
KDM4E B2RXH2 3/20 0.49
GAA P10253 3/20 0.49
TSHR P16473 3/20 0.49
HPGD P15428 2/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
ATM Q13315 2/20 0.49
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47

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
SCHEMBL21656846 0.94 ALDH1A1 (0.58) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL21656805 0.94 ALDH1A1 (0.54) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL21656950 0.92 ALDH1A1 (0.60) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL21656481 0.92 ALDH1A1 (0.60) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL13267179 0.91 ALDH1A1 (0.55) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL28590834 0.90 CA1 (0.51) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL30720642 0.85 SMN1; SMN2 (0.53) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL27267183 0.85 SMN1; SMN2 (0.53) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL30927 0.85 ESR2 (0.55) CA1CA2MAPTALDH1A1SMN1; SMN2
SCHEMBL16684739 0.84 HDAC8 (0.61) CA1CA2MAPTALDH1A1SMN1; SMN2

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-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-11370771-B2 Inhibitors of TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-06-28 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2021-04-15 US disclosed
US-20210053935-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS Xeniopro GmbH (DE) 2020-01-30 US disclosed
WO-2019161010-A1 INHIBITORS OF TRPC6 BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-08-22 WO 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 CA1 4881/4885CA2 4416/4885MAPT 2272/4885
US-20210053935-A1 INHIBITORS OF TRPC6 TRPC6, TRPC1, TRPC4 CA1 3785/4885CA2 265/4885MAPT 2178/4885
US-11591289-B2 Aromatic compounds AHR, TYR, MUSK CA1 4882/4885CA2 4221/4885MAPT 2195/4885
US-20210107863-A2 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA1 4881/4885CA2 4416/4885MAPT 2272/4885
US-12600696-B2 Aromatic compounds CCR1, CCRL2, AHR CA1 3602/4885CA2 1477/4885MAPT 4404/4885
US-20200031763-A1 NOVEL AROMATIC COMPOUNDS AHR, TYR, MUSK CA1 4881/4885CA2 4416/4885MAPT 2272/4885
US-11370771-B2 Inhibitors of TRPC6 TRPC6, TRPC1, TRPC4 CA1 3785/4885CA2 265/4885MAPT 2178/4885

“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.