SCHEMBL21643902

SCHEMBL21643902

Oc1ccc(/C=C/c2cc(O)cc(O)c2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 1.00
MAPT P10636 4/20 0.57
APP P05067 4/20 0.57
MEN1 O00255 3/20 0.57
CYP3A4 P08684 3/20 0.57
KMT2A Q03164 3/20 0.57
PTGS1 P23219 3/20 0.57
CA12 O43570 2/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
CA3 P07451 2/20 0.57
CA4 P22748 2/20 0.57
CA6 P23280 2/20 0.57
CA5A P35218 2/20 0.57
CA7 P43166 2/20 0.57
CA9 Q16790 2/20 0.57
CA13 Q8N1Q1 2/20 0.57
CA14 Q9ULX7 2/20 0.57
CA5B Q9Y2D0 2/20 0.57
KDM4E B2RXH2 2/20 0.57

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
SCHEMBL28226138 1.00 PTPN1 (1.00) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL14966981 1.00 PTPN1 (1.00) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL30983773 1.00 PTPN1 (1.00) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL27677458 0.86 PTPN1 (0.76) PTPN1MAPTMEN1CYP3A4KMT2A
SCHEMBL23883121 0.81 PTPN1 (0.68) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL30739556 0.81 PTPN1 (0.68) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL13313586 0.81 PTPN1 (0.68) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL29126777 0.81 PTPN1 (0.68) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL31414593 0.81 PTPN1 (0.68) PTPN1MAPTAPPMEN1CYP3A4
SCHEMBL31414592 0.81 PTPN1 (0.68) PTPN1MAPTAPPMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109991340-B Spectrum effect relationship-based quality detection method for radix polygoni multiflori preparata 无限极(中国)有限公司 2022-03-29 CN disclosed
US-20210038535-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER LIAO SE CHUN (TW) 2021-02-11 US disclosed
US-20210038535-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER LIAO SE CHUN (TW) 2021-02-11 US disclosed
CN-112336704-A Pharmaceutical composition for treating drug-resistant cancer 永胜药品工业股份有限公司 2021-02-09 CN disclosed
WO-2021016987-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER EVEREST PHARM. INDUSTRIAL CO., LTD. (CN) 2021-02-04 WO disclosed
CN-112305211-A Method for controlling idiosyncratic hepatotoxicity of polygonum multiflorum 北京圆融科技有限公司 2021-02-02 CN disclosed
US-10849861-B2 Pharmaceutical compound for treating colorectal cancer EVEREST PHARM. INDUSTRIAL CO., LTD. (TW) 2020-12-01 US disclosed
US-10849861-B2 Pharmaceutical compound for treating colorectal cancer EVEREST PHARM. INDUSTRIAL CO., LTD. (TW) 2020-12-01 US disclosed
US-20200038340-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER LIAO, SE-CHUN (TW) 2020-02-06 US disclosed
US-20200038340-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER LIAO, SE-CHUN (TW) 2020-02-06 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 (3 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-20210038535-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER APC, CYP7A1, TCOF1 PTPN1 1315/4885MAPT 2355/4885APP 3362/4885
US-20200038340-A1 PHARMACEUTICAL COMPOUND FOR TREATING COLORECTAL CANCER APC, GPBAR1, CYP7A1 PTPN1 1224/4885MAPT 2356/4885APP 3535/4885
US-10849861-B2 Pharmaceutical compound for treating colorectal cancer APC, GPBAR1, CYP7A1 PTPN1 1224/4885MAPT 2356/4885APP 3535/4885

“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.