SCHEMBL5899498

SCHEMBL5899498

ICOc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 2/20 0.63
TDP1 Q9NUW8 2/20 0.61
KDM4E B2RXH2 2/20 0.61
MAPK1 P28482 2/20 0.61
ALOX5 P09917 1/20 0.59
PTPN7 P35236 1/20 0.55
CYP1A2 P05177 1/20 0.52
CYP2A6 P11509 1/20 0.52
RAB9A P51151 6/20 0.52
NPC1 O15118 5/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HTT P42858 3/20 0.49
PPARG P37231 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49

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
SCHEMBL6926963 0.83 TDP1 (0.68) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL3624437 0.82 AGXT (0.63) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL16902851 0.81 TDP1 (0.87) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL16902860 0.81 AGXT (0.68) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL13020434 0.81 TDP1 (0.66) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL29429997 0.79 TDP1 (0.76) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL8565990 0.79 TDP1 (0.76) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL1859481 0.79 TDP1 (0.76) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL574236 0.78 KDM4E (0.68) AGXTTDP1KDM4EMAPK1ALOX5
SCHEMBL17970662 0.78 CYP2A6 (0.54) AGXTTDP1KDM4EMAPK1ALOX5

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
CN-115894955-B Zirconium-based metal organic framework material, synthesis method and application thereof 中国科学技术大学 2023-11-17 CN disclosed
US-7122694-B2 Hydroboronation process BORON MOLECULAR PTY LIMITED (AU) 2006-10-17 US disclosed
US-20040133028-A1 Hydroboronation process COMMONWEALTH SCIENTIFIC 2004-07-08 US disclosed
EP-1127060-B1 HYDROBORONATION PROCESS COMMW SCIENT IND RES ORG (AU) 2004-04-07 EP disclosed
US-6680401-B1 BORON COMPOUNDS SUCH AS 4-(METHOXYMETHYL)-1,3,2-DIOXABOROLANE, USED AS COUPLERS OR CHEMICAL INTERMEDIATES FOR DRUGS, PESTICIDES OR IN COMBINATORIAL CHEMISTRY COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2004-01-20 US disclosed
EP-0553346-A1 PHOTOGRAPHIC PRODUCTS AND PROCESSES POLAROID CORPORATION (US) 1993-08-04 EP 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-20040133028-A1 Hydroboronation process ALKBH3, HPD, HVCN1 AGXT 1790/4885TDP1 3568/4885KDM4E 1974/4885

“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.