SCHEMBL4935526

SCHEMBL4935526

COc1cc2cccc(OC)c2cc1C=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HPGD P15428 2/20 0.51
HSD17B10 Q99714 1/20 0.51
ERN1 O75460 5/20 0.50
TLR2 O60603 1/20 0.50
TLR1 Q15399 1/20 0.50
TLR6 Q9Y2C9 1/20 0.50
NQO1 P15559 1/20 0.44
LMNA P02545 2/20 0.44
SRC P12931 1/20 0.43
NPC1 O15118 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
PRKDC P78527 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 2/20 0.40

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
SCHEMBL11230561 0.93 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL11229197 0.82 ERN1 (0.54) ALDH1A1KDM4ETDP1HPGDHSD17B10
SCHEMBL4059355 0.82 ALDH1A1 (0.61) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL8393507 0.79 NQO1 (0.67) ALDH1A1KDM4EHPGDHSD17B10NQO1
SCHEMBL29919905 0.79 NQO1 (0.67) ALDH1A1KDM4EHPGDHSD17B10NQO1
SCHEMBL24250199 0.79 ERN1 (0.54) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL11299778 0.79 ALDH1A1 (0.57) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL1487621 0.77 ALDH1A1 (0.71) ALDH1A1KDM4ETSHRTDP1HPGD
SCHEMBL8391116 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10NQO1
SCHEMBL29862025 0.77 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10NQO1

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-20230242585-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
US-20230242585-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2023-08-03 US disclosed
WO-2021226460-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-11-11 WO disclosed
CN-101883785-B New non-selective somatostatin analogues ITALFARMACO SPA 2014-01-15 CN disclosed
CN-101883785-A New non-selective somatostatin analogues ITALFARMACO SPA 2010-11-10 CN disclosed
US-20080287399-A1 Substituted Aminopyridines and Uses Thereof ASTRAZENECA AB (SE) 2008-11-20 US disclosed
CN-101124205-A Substituted aminopyridines and uses thereof ASTRAZENECA AB (SE) 2008-02-13 CN disclosed
EP-1831170-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065204-A1 SUBSTITUTED AMINOPYRIDINES AND USES THEREOF ASTRAZENECA AB (SE) 2006-06-22 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 (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-20080287399-A1 Substituted Aminopyridines and Uses Thereof PSEN2, SLC1A2, PSEN1 ALDH1A1 1429/4885KDM4E 2474/4885TSHR 4728/4885
US-20230242585-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 ALDH1A1 3370/4885KDM4E 2092/4885TSHR 1228/4885

“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.