SCHEMBL5058089

SCHEMBL5058089

COCOc1cc(CO)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
FYN P06241 1/20 0.36
EGFR P00533 3/20 0.35
HTT P42858 2/20 0.35
ACHE P22303 1/20 0.34
TTR P02766 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
GAA P10253 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA2 P00918 1/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
MMP1 P03956 1/20 0.32
CYP3A4 P08684 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
SCHEMBL4255554 0.84 NPC1 (0.48) NPC1POLBRAB9ACYP4F2CYP4A11
SCHEMBL17422637 0.83 CSNK2A1 (0.41) ALDH1A1TSHRCA2
SCHEMBL17151923 0.83 CA2 (0.32) CYP4F2CYP4A11TRPV1ALDH1A1CA2
SCHEMBL16959158 0.82 HTT (0.47) NPC1POLBRAB9ACYP4F2CYP4A11
SCHEMBL6765922 0.82 CA2 (0.45) NPC1POLBRAB9ACYP4F2CYP4A11
SCHEMBL4217006 0.81 CSNK2A1 (0.42) NPC1POLBRAB9ACYP4F2CYP4A11
SCHEMBL6301878 0.81 POLB (0.56) NPC1POLBRAB9AFYNHTT
SCHEMBL334082 0.81 SLC22A12 (0.40) NPC1POLBRAB9ACYP4F2CYP4A11
SCHEMBL23673569 0.79 SLC6A4 (0.42) NPC1POLBRAB9ACYP4F2CYP4A11
SCHEMBL29887121 0.79 SLC6A4 (0.42) NPC1POLBRAB9ACYP4F2CYP4A11

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
EP-3166644-B1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD (GB) 2019-06-19 EP disclosed
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD. (GB) 2017-07-13 US disclosed
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD. (GB) 2017-07-13 US disclosed
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD. (GB) 2017-07-13 US disclosed
EP-3166644-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT Adc Biotechnology Ltd (GB) 2017-05-17 EP disclosed
WO-2016005744-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD (GB) 2016-01-14 WO disclosed
WO-2016005744-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT ADC BIOTECHNOLOGY LTD (GB) 2016-01-14 WO disclosed
WO-2015152128-A1 AMINO ACID PRECURSOR, AMINO ACID, AND PRODUCTION METHOD FOR AMINO ACID, AND PET DIAGNOSTIC TRACER USING AMINO ACID 長瀬産業株式会社 2015-10-08 WO disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
CN-101119747-A Tissue factor production inhibitor SANKYO CO (JP) 2008-02-06 CN disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI NPC1 747/4885POLB 2926/4885RAB9A 3919/4885
US-20170196990-A1 METHOD OF SYNTHESISING ADCS USING PHOTOCLEAVABLE LINKERS ON SOLID SUPPORT SBDS, ADCY8, DCK NPC1 4777/4885POLB 569/4885RAB9A 1121/4885

“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.