SCHEMBL20057048

SCHEMBL20057048

COC(CO)COCCOCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
TSHR P16473 2/20 0.44
HTT P42858 3/20 0.43
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
NAAA Q02083 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10821801 0.94 L3MBTL1 (0.48) KMT2ATSHRHTTCA1CA2
SCHEMBL9121966 0.92 KMT2A (0.51) KMT2ATSHRHTTCA1CA2
SCHEMBL3080042 0.92 KMT2A (0.51) KMT2ATSHRHTTCA1CA2
SCHEMBL10564876 0.92 KMT2A (0.51) KMT2ATSHRHTTCA1CA2
SCHEMBL19749215 0.89 TSHR (0.45) KMT2ATSHRHTTCA1CA2
SCHEMBL19067473 0.87 TSHR (0.44) KMT2ATSHRHTTCA1CA2
SCHEMBL20254084 0.85 TSHR (0.45) KMT2ATSHRHTTCA1CA2
SCHEMBL25078764 0.83 TSHR (0.50) KMT2ATSHRHTTCA1CA2
SCHEMBL566016 0.83 TSHR (0.50) KMT2ATSHRHTTCA1CA2
SCHEMBL20272903 0.83 L3MBTL1 (0.46) KMT2ATSHRHTTCA1CA2

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-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2019-10-22 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCEXPLORER (SHANGHAI) CO., LTD. (CN) 2018-06-14 US disclosed
EP-3308801-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF XDCExplorer (Shanghai) Co., Ltd. (CN) 2018-04-18 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-10449258-B2 Antibody drug conjugate, intermediate, preparation method, pharmaceutical composition and uses thereof FCGR3B, SI, INCENP KMT2A 3529/4885TSHR 3634/4885HTT 3274/4885
US-20180161446-A1 ANTIBODY DRUG CONJUGATE, INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USES THEREOF FCGR3B, SI, INCENP KMT2A 3529/4885TSHR 3634/4885HTT 3274/4885

“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.