SCHEMBL16810260

SCHEMBL16810260

O=C(O)COc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc(s4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2s5)C=C4)C=C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ ACACA Q13085 1/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ PTPN1 P18031 2/20 0.47
▸ ADORA3 P0DMS8 1/20 0.47
▸ PPARG P37231 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ PTPN7 P35236 2/20 0.44
▸ FFAR1 O14842 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PTPN12 Q05209 1/20 0.43
▸ DHFR P00374 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PPARA Q07869 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43

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
SCHEMBL10730297 0.82 MEN1 (0.57) MEN1KMT2AACACAALOX15ADORA3
SCHEMBL15358870 0.78 KDM4E (0.47) MEN1KMT2AACACAADORA3ALDH1A1
SCHEMBL29558419 0.77 TOP1 (0.61) MEN1KMT2AALOX15
SCHEMBL3794157 0.77 TOP1 (0.61) MEN1KMT2AALOX15
SCHEMBL15349956 0.76 MMP3 (0.45) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL422442 0.75 ALOX15 (0.76) MEN1KMT2AACACAALOX15PPARG
SCHEMBL9587290 0.74 MEN1 (0.57) MEN1KMT2AACACAALOX15SMN1; SMN2
SCHEMBL28414196 0.72 ACACA (0.65) MEN1KMT2AACACAALOX15PTPN1
SCHEMBL8473209 0.72 PTPN1 (0.55) MEN1KMT2AACACAALOX15PTPN1
SCHEMBL8175663 0.71 PTPN1 (0.54) ACACAALOX15PTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9839690-B2 Singlet oxygen-labile linkers and methods of production and use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2017-12-12 — — US disclosed
US-20170014510-A1 Singlet Oxygen-Labile Linkers and Methods of Production and Use Thereof THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2017-01-19 — — US disclosed
US-9393306-B2 Singlet oxygen-labile linkers and methods of production and use thereof THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2016-07-19 — — US disclosed
US-20150165026-A1 SINGLET OXYGEN-LABILE LINKERS AND METHODS OF PRODUCTION AND USE THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2015-06-18 — — 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-20170014510-A1 Singlet Oxygen-Labile Linkers and Methods of Production and Use Thereof PPOX, DUOX1, PAICS MEN1 2293/4885KMT2A 2599/4885ACACA 2788/4885
US-20150165026-A1 SINGLET OXYGEN-LABILE LINKERS AND METHODS OF PRODUCTION AND USE THEREOF PPOX, DUOX1, PAICS MEN1 2293/4885KMT2A 2599/4885ACACA 2788/4885

“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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