SCHEMBL24344654

SCHEMBL24344654

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)OCCOCCOC(=O)c2cccc(C(=O)OCCOCCOC(=O)N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC2A1 P11166 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
USP2 O75604 1/20 0.40
SLC2A4 P14672 2/20 0.40
SLC2A8 Q9NY64 1/20 0.40
PPARA Q07869 2/20 0.39
PPARG P37231 1/20 0.39
LPAR1 Q92633 1/20 0.39

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
SCHEMBL24343347 0.96 CYP1A2 (0.46) CYP1A2ALDH1A1NPSR1SLC2A1TDP1
SCHEMBL24344666 0.94 MEN1 (0.41) CYP1A2ALDH1A1NPSR1SLC2A1TDP1
SCHEMBL24344658 0.90 MEN1 (0.43) CYP1A2ALDH1A1NPSR1TDP1MAPT
SCHEMBL31150589 0.89 SLC2A1 (0.42) CYP1A2SLC2A1MAPTSLC2A4SLC2A8
SCHEMBL24343955 0.89 SLC2A1 (0.42) CYP1A2SLC2A1MAPTSLC2A4SLC2A8
SCHEMBL24343530 0.86 SLC2A1 (0.41) ALDH1A1SLC2A1MEN1KMT2AGAA
SCHEMBL24343509 0.85 HSD17B2 (0.45) CYP1A2SLC2A1MAPTSLC2A4SLC2A8
SCHEMBL31150696 0.85 HSD17B2 (0.45) CYP1A2SLC2A1MAPTSLC2A4SLC2A8
SCHEMBL24343489 0.84 TSHR (0.42) ALDH1A1NPSR1SLC2A1TDP1MEN1
SCHEMBL24343315 0.84 SLC2A1 (0.44) ALDH1A1NPSR1SLC2A1TDP1MEN1

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-12109263-B2 Integrin agonists or activating compounds and methods for making and using same 7 HILLS PHARMA INC. 2024-10-08 US claimed
US-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME 7 Hills Pharma LLC (US) 2022-04-21 US 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-20220118086-A1 INTEGRIN AGONISTS OR ACTIVATING COMPOUNDS AND METHODS FOR MAKING AND USING SAME ICOS, CD47, CD274 CYP1A2 3558/4885ALDH1A1 398/4885NPSR1 1263/4885
US-12109263-B2 Integrin agonists or activating compounds and methods for making and using same ICOS, CD47, CD274 CYP1A2 3558/4885ALDH1A1 398/4885NPSR1 1263/4885

“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.