SCHEMBL8290256

SCHEMBL8290256

Cc1cc2ccc(I)cc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.44
DYRK1A Q13627 1/20 0.38
MIF P14174 2/20 0.37
HSD17B3 P37058 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MCL1 Q07820 2/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 3/20 0.33
CA9 Q16790 3/20 0.32
CA1 P00915 2/20 0.32
CYP3A4 P08684 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A1 P04798 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 3/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.32

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
SCHEMBL1746909 0.83 DYRK1A (0.50) APPDYRK1AALDH1A1MAPTCA9
SCHEMBL806492 0.77 ALDH1A1 (0.50) APPDYRK1AMIFHSD17B3ALDH1A1
SCHEMBL18822720 0.77 APP (0.42) APPMIFALDH1A1MCL1MAPT
SCHEMBL2269879 0.74 HSD17B3 (0.61) MIFHSD17B3ALDH1A1MCL1KMT2A
SCHEMBL6980491 0.74 CA2 (0.52) APPDYRK1AALDH1A1KMT2AMAPT
SCHEMBL28843596 0.74 APP (0.41) APPMIFALDH1A1MCL1MAPT
SCHEMBL7491461 0.74 APP (0.44) APPDYRK1AMIFHSD17B3ALDH1A1
SCHEMBL8148694 0.74 APP (0.44) APPDYRK1AMIFHSD17B3ALDH1A1
SCHEMBL2095508 0.74 APP (0.41) APPMIFALDH1A1MCL1MAPT
SCHEMBL8155015 0.74 CA12 (0.50) APPDYRK1AMIFALDH1A1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS THE UNIVERSITY OF HONG KONG (CN) 2023-11-09 US disclosed
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF Bayer Pharma AG (DE) 2017-05-04 US disclosed
WO-2005032468-A2 MONOCYCLIC AND BICYCLIC LACTAMS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-04-14 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-20230355705-A1 DISCOVERY OF YEATS2 YEATS DOMAIN INHIBITORS AS NOVEL ANTI-CANCER AGENTS YEATS2, YEATS4, KNTC1 APP 4791/4885DYRK1A 1827/4885MIF 3543/4885
US-20170121315-A1 HETEROBICYCLICALLY SUBSTITUTED 4-OXOBUTANE ACID DERIVATIVES AND USE THEREOF ABAT, HADHB, CYP11B2 APP 4394/4885DYRK1A 2414/4885MIF 3871/4885

“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.