SCHEMBL2467096

SCHEMBL2467096

COc1ccc(-c2coc3cc(OCC#CCN4CCCC4)ccc3c2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.69
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.53
MEN1 O00255 3/20 0.53
TP53 P04637 2/20 0.53
CYP3A4 P08684 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
XDH P47989 1/20 0.53
BCL2 P10415 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
IL2 P60568 1/20 0.53
CYP1B1 Q16678 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL2469188 0.99 HRH3 (0.70) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL2464301 0.93 MAPT (0.61) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL2467838 0.89 ACHE (0.56) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL7045130 0.83 ALDH1A1 (0.53) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL7040565 0.80 HRH3 (0.63) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL7042266 0.78 RAB9A (0.61) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL14070597 0.78 ALDH2 (0.80) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL30527918 0.78 ALDH2 (0.80) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL571576 0.77 XDH (0.84) HRH3MAPTALDH1A1KMT2AKDM4E
SCHEMBL20576335 0.77 PDK1 (0.82) HRH3MAPTALDH1A1KMT2AKDM4E

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
JP-4782337-B2 2011-09-28 JP claimed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP claimed
JP-2003508524-A 2003-03-04 JP claimed
US-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis INDENA S.P.A. (IT) 2002-12-05 US claimed
CN-1371371-A Novel derivatives of flavones, xanthones and coumarins INDENA SPA (IT) 2002-09-25 CN claimed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP claimed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 WO claimed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP disclosed
EP-1212312-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001017985-A1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA S.P.A. (IT) 2001-03-15 WO 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 (1 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-20020183318-A1 Having antiproliferative activity and are useful as modulators of multiple drug resistance in cancer chemotherapy of neoplasms, for use in manufacture of medicament for menopausal disorders and osteoporosis BRCA1, NCEH1, EZH1 HRH3 396/4885MAPT 3858/4885ALDH1A1 2996/4885

“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.