SCHEMBL6287075

SCHEMBL6287075

CCOC(=O)C(O)c1c[nH]c2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
PKM P14618 2/20 0.56
GPR84 Q9NQS5 3/20 0.54
FFAR1 O14842 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MGAM O43451 2/20 0.48
GAA P10253 2/20 0.48
SI P14410 2/20 0.48
MGAM2 Q2M2H8 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48

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
SCHEMBL6287071 0.85 PKM (0.56) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL6190684 0.85 PKM (0.56) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL31458574 0.85 PKM (0.56) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL6287232 0.85 ALDH1A1 (0.55) KMT2APKMGPR84FFAR1MAPT
SCHEMBL25418349 0.85 KMT2A (0.55) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL9584209 0.84 PKM (0.55) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL28034598 0.84 PKM (0.55) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL27836199 0.84 PKM (0.55) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL1970759 0.83 PKM (0.53) KMT2APKMGPR84FFAR1SMN1; SMN2
SCHEMBL6284347 0.82 KMT2A (0.61) KMT2APKMGPR84FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791262-B2 Asymmetric friedel-crafts alkylations catalyzed by bifunctional cinchona alkaloids BRANDEIS UNIVERSITY (US) 2014-07-29 US disclosed
US-20090203913-A1 Asymmetric Friedel-Crafts Alkylations Catalyzed By Bifunctional Cinchona Alkaloids BRANDEIS UNIVERSITY 2009-08-13 US disclosed
WO-2007064861-A2 ASYMMETRIC FRIEDEL-CRAFTS ALKYLATIONS CATALYZED BY BYFUNCTIONAL CINCHONA ALKALOIDS BRANDEIS UNIVERSITY (US) 2007-06-07 WO disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM KMT2A 629/4885PKM 2978/4885GPR84 4151/4885
US-20090203913-A1 Asymmetric Friedel-Crafts Alkylations Catalyzed By Bifunctional Cinchona Alkaloids COASY, AANAT, PCNA KMT2A 195/4885PKM 2560/4885GPR84 2354/4885

“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.