SCHEMBL17876373

SCHEMBL17876373

Cc1cc2occ(I)c(=O)c2cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 4/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 4/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 2/20 0.34
NQO1 P15559 1/20 0.34
KMT2A Q03164 2/20 0.34
MAOB P27338 2/20 0.33
TNFSF11 O14788 1/20 0.33
POLB P06746 2/20 0.33
ALOX12 P18054 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KCNA2 P16389 1/20 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
SCHEMBL28914825 0.86 PTPN1 (0.63) PTPN1ALOX15ALDH1A1KDM4EHPGD
SCHEMBL18021729 0.82 ALOX15 (0.49) PTPN1ALOX15ALDH1A1KDM4EHPGD
SCHEMBL17876375 0.78 MAPT (0.47) ALOX15ALDH1A1KDM4EHPGDNPC1
SCHEMBL27700653 0.78 ALDH1A1 (0.55) ALDH1A1HPGDMAPTRAB9AUSP2
SCHEMBL11562450 0.77 PTPN1 (0.45) PTPN1ALOX15ALDH1A1KDM4EHPGD
SCHEMBL16446088 0.77 ALOX12 (0.54) PTPN1ALOX15ALDH1A1KDM4EHPGD
SCHEMBL16445878 0.77 NPC1 (0.49) PTPN1ALDH1A1KDM4EHPGDNPC1
SCHEMBL31292056 0.74 PTPN1 (0.77) PTPN1ALOX15ALDH1A1KDM4EKMT2A
SCHEMBL17876359 0.74 ALDH2 (0.39) PTPN1ALOX15ALDH1A1KDM4EHPGD
SCHEMBL4044019 0.74 PTPN1 (0.77) PTPN1ALOX15ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118406075-A Silicon-containing polycyclic chromone skeleton compound, preparation method and application thereof 遵义医科大学 2024-07-30 CN disclosed
CN-118255735-A Preparation method of cyclopenta [ b ] chromone compound 遵义医科大学 2024-06-28 CN disclosed
CN-114560838-B Preparation method of 2-amino-3-formyl chromone compound 遵义医科大学 2023-09-15 CN disclosed
CN-112898256-B Preparation method of 1, 2-dihydrocyclopenta [ b ] chromene-3, 9-diketone compound 遵义医科大学 2023-01-31 CN disclosed
CN-113149948-B Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound 遵义医科大学 2022-07-08 CN disclosed
CN-111732567-B Chromone framework-containing polycyclic compound, and preparation method and application thereof 遵义医科大学 2022-07-08 CN disclosed
CN-114560838-A Preparation method of 2-amino-3-formyl chromone compound 遵义医科大学 2022-05-31 CN disclosed
CN-113149948-A Preparation method and application of 3-methylene cyclopentano [ b ] chromone compound 遵义医科大学 2021-07-23 CN disclosed
CN-112898256-A Preparation method of 1, 2-dihydrocyclopenta [ b ] chromene-3, 9-diketone compound 遵义医科大学 2021-06-04 CN disclosed
CN-111732567-A Chromone framework-containing polycyclic compound, and preparation method and application thereof 遵义医科大学 2020-10-02 CN disclosed
US-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-06-30 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-20160185745-A1 ANALOGS OF VINAXANTHONE AND XANTHOFULVIN, METHODS OF SYNTHESIS, AND METHODS OF TREATMENTS THEREOF VAT1, NQO1, VARS1 PTPN1 4828/4885ALOX15 503/4885ALDH1A1 2380/4885

“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.