SCHEMBL22797523

SCHEMBL22797523

CC1(C)OC2O[C@]3(CC[C@@H]3OC(=O)c3ccccc3)C(OCc3ccccc3)C2O1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ CHRNA7 P36544 3/20 0.39
▸ GAA P10253 1/20 0.37
▸ BCHE P06276 2/20 0.36
▸ ABCB1 P08183 2/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL22797534 1.00 ALDH1A1 (0.43) ALDH1A1CHRNA7GAABCHEABCB1
SCHEMBL24673919 1.00 ALDH1A1 (0.43) ALDH1A1CHRNA7GAABCHEABCB1
SCHEMBL22797520 1.00 ALDH1A1 (0.43) ALDH1A1CHRNA7GAABCHEABCB1
SCHEMBL24673802 1.00 ALDH1A1 (0.43) ALDH1A1CHRNA7GAABCHEABCB1
SCHEMBL22797519 0.81 OPRM1 (0.36) ALDH1A1BCHEKMT2AMEN1
SCHEMBL22797533 0.81 OPRM1 (0.36) ALDH1A1BCHEKMT2AMEN1
SCHEMBL22799523 0.80 ALDH1A1 (0.53) ALDH1A1CHRNA7GAABCHETDP1
SCHEMBL22799896 0.80 ALDH1A1 (0.53) ALDH1A1CHRNA7GAABCHETDP1
SCHEMBL22798485 0.79 OPRM1 (0.35) ALDH1A1BCHEKMT2AMEN1
SCHEMBL22335650 0.76 ALDH1A1 (0.52) ALDH1A1GAABCHETDP1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2022-09-01 — — US disclosed
WO-2020249663-A1 NOVEL SPIROBICYCLIC INTERMEDIATES JANSSEN PHARMACEUTICA NV (BE) 2020-12-17 — — 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 (1 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-20220275018-A1 NOVEL SPIROBICYCLIC INTERMEDIATES NME2, SLC28A1, SLC28A2 ALDH1A1 248/4885CHRNA7 4531/4885GAA 3330/4885

“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.

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