SCHEMBL9555876

SCHEMBL9555876

O=C(N[C@H]1CC[C@@H](O)CC1)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
GAA P10253 1/20 0.76
TSHR P16473 1/20 0.72
EPHX1 P07099 1/20 0.64
DPP4 P27487 6/20 0.58
DPP7 Q9UHL4 6/20 0.58
KCNH2 Q12809 3/20 0.58
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TLR4 O00206 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ACHE P22303 1/20 0.52
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52

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
SCHEMBL851220 1.00 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL761181 1.00 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.94 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.94 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.94 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.92 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL328941 0.91 EPHX1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4754108 0.91 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3547532 0.91 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL1182961 0.91 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-02-11 US disclosed
WO-2017141927-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND 大正製薬株式会社 2017-08-24 WO disclosed
US-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-03-09 US disclosed
WO-2017040757-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2017-03-09 WO disclosed
US-5190922-A Antiinflammatory ABBOTT LABORATORIES (US) 1993-03-02 US disclosed
WO-1992021361-A1 TERMINALLY MODIFIED TRI-, TETRA- AND PENTAPEPTIDE ANAPHYLATOXIN RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 1992-12-10 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 (2 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-20170066763-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885GAA 1899/4885TSHR 1652/4885
US-20210040062-A1 AZOLE-SUBSTITUTED PYRIDINE COMPOUND CYP2F1, CYP21A2, CYP11B1 ALDH1A1 254/4885GAA 3612/4885TSHR 2861/4885

“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.