SCHEMBL22797551

SCHEMBL22797551

CC1(C)OC2C(OCc3ccccc3)[C@@]3(C[C@H]3CO)O[C@@H]2O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ BCHE P06276 1/20 0.32
▸ GSTP1 P09211 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ RECQL P46063 1/20 0.30

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
SCHEMBL22797550 1.00 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL22798485 0.88 OPRM1 (0.35) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL22799896 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ABCHECHRNB2CHRNA4
SCHEMBL22799523 0.83 ALDH1A1 (0.53) ALDH1A1KMT2ABCHECHRNB2CHRNA4
SCHEMBL18671589 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL22797533 0.81 OPRM1 (0.36) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL22797519 0.81 OPRM1 (0.36) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL22798838 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL22797481 0.81 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ABCHEGSTP1
SCHEMBL24673828 0.79 ALDH1A1 (0.32) ALDH1A1

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 248/4885MEN1 2703/4885KMT2A 3970/4885

“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.

Send feedback