SCHEMBL3989240

SCHEMBL3989240

Cc1cc(O)c2ccccc2c1OC(=O)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.69
GAA P10253 5/20 0.69
HTT P42858 4/20 0.69
HSD17B10 Q99714 2/20 0.69
KDM4E B2RXH2 2/20 0.69
TP53 P04637 1/20 0.69
LMNA P02545 4/20 0.64
POLB P06746 2/20 0.64
KMT2A Q03164 8/20 0.53
MEN1 O00255 5/20 0.53
ESR1 P03372 3/20 0.53
ESR2 Q92731 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
JAK2 O60674 1/20 0.53
USP2 O75604 1/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 3/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL30166016 1.00 MAPT (0.69) MAPTGAAHTTHSD17B10KDM4E
SCHEMBL3597080 0.82 MAPT (1.00) MAPTGAAHTTHSD17B10KDM4E
SCHEMBL7711166 0.80 TSHR (0.49) MAPTGAAHTTHSD17B10KDM4E
SCHEMBL10608182 0.79 MAPT (0.48) MAPTGAAHTTHSD17B10KDM4E
SCHEMBL29372731 0.79 LMNA (0.56) MAPTGAAHTTHSD17B10TP53
SCHEMBL27988230 0.78 MAPT (0.49) MAPTGAAKDM4ELMNAPOLB
SCHEMBL17696404 0.78 MAPT (0.69) MAPTGAAHTTHSD17B10KDM4E
Phosphine SCHEMBL22345943 0.77 MAPT (0.48) MAPTGAAKDM4ELMNAPOLB
SCHEMBL11511170 0.77 KMT2A (0.54) MAPTGAAHSD17B10KDM4ELMNA
SCHEMBL29370930 0.76 GAA (0.51) MAPTGAAHTTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0784042-B1 Use of hydrogen bis(oxalato)borate DSM IP ASSETS BV (NL) 2009-05-27 EP claimed
US-5886196-A Method of catalyzing condensation reactions ROCHE VITAMINS INC. (US) 1999-03-23 US claimed
CN-1161251-A Use of hydrogen-bis (oxalato) borate HOFFMANN LA ROCHE (CH) 1997-10-08 CN claimed
JP-9192493-A None JP disclosed
US-12139456-B2 Vitamin K2 synthesis DSM IP ASSETS B.V. (NL) 2024-11-12 US disclosed
CN-115151524-B Vitamin K2 synthesis 帝斯曼知识产权资产管理有限公司 2024-01-19 CN disclosed
US-20230159429-A1 VITAMIN K2 SYNTHESIS DSM IP ASSETS B.V. (NL) 2023-05-25 US disclosed
WO-2020035601-A1 SYNTHESIS OF CHROMANOL AND 2-METHYL-1,4-NAPHTHOQUINONE DERIVATIVES BASF SE (DE) 2020-02-20 WO disclosed
CN-1099911-C Use of hydrogen-bis (oxalato) borate HOFFMANN LA ROCHE (CH) 2003-01-29 CN disclosed
US-5886196-A Method of catalyzing condensation reactions ROCHE VITAMINS INC. (US) 1999-03-23 US disclosed
CN-1161251-A Use of hydrogen-bis (oxalato) borate HOFFMANN LA ROCHE (CH) 1997-10-08 CN disclosed
JP-H09192493-A BID(OXALATO)BORATE F HOFFMANN LA ROCHE AG 1997-07-29 JP 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-20230159429-A1 VITAMIN K2 SYNTHESIS PROC, VKORC1, VKORC1L1 MAPT 4099/4885GAA 4410/4885HTT 4186/4885
US-12139456-B2 Vitamin K2 synthesis PROC, VKORC1, VKORC1L1 MAPT 4099/4885GAA 4410/4885HTT 4186/4885

“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.