SCHEMBL7658563

SCHEMBL7658563

COC(=O)c1ccc2c(CCC(=O)O)nn(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ HPGD P15428 6/20 0.43
▸ GAA P10253 4/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ HSD17B10 Q99714 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GLA P06280 2/20 0.38
▸ FGFR1 P11362 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL28472884 0.86 TLR8 (0.41) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL28468125 0.84 LOXL2 (0.46) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL27272748 0.84 SLC22A12 (0.44) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL7656202 0.84 KDM4E (0.38) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL7655673 0.83 LMNA (0.47) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL12090340 0.82 DYRK1A (0.48) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL8682731 0.82 KDM4E (0.39) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL7658111 0.80 KDM4E (0.37) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL23559707 0.77 ADORA2A (0.47) ALDH1A1KDM4EHPGDGAASMN1; SMN2
SCHEMBL30987632 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDGAASMN1; SMN2

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-6489333-B2 HETEROCYCLIC COMPOUNDS CONTAINING A GUANIDINE MIMIC, FOR INHIBITION OF CELL ADHESION, TREATMENT OF ANGIOGENESIS DISORDERS, INFLAMMATION, CANCER METASTASIS, DIABETIC RETINOPATHY, THROMBOSIS, RESTENOSIS, MACULAR DEGENERATION BRISTOL - MEYERS SQUIBB PHARMA COMPANY 2002-12-03 — — US disclosed
US-20010044535-A1 Integrin antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-11-22 — — 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 (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-20010044535-A1 Integrin antagonists ITGB3, VCAM1, ITGB2 ALDH1A1 2216/4885KDM4E 3935/4885HPGD 3468/4885

“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.

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