SCHEMBL7044938

SCHEMBL7044938

Cc1c(-c2ccccc2)oc2cc(OCC#CCN3CCOCC3)ccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
SIGMAR1 Q99720 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
CSF1R P07333 1/20 0.45
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CCR4 P51679 1/20 0.42
PRKDC P78527 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
BCHE P06276 1/20 0.42

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
SCHEMBL7044951 0.83 XDH (0.56) ALDH1A1KDM4ETDP1CSF1RMEN1
SCHEMBL7042817 0.83 SIGMAR1 (0.59) SIGMAR1BCHEACHE
SCHEMBL7045130 0.81 ALDH1A1 (0.53) ALDH1A1KDM4ETDP1CYP3A4TSHR
SCHEMBL7044392 0.79 KDM4E (0.63) ALDH1A1KDM4ETDP1TSHRMAPT
SCHEMBL7040569 0.79 KDM4E (0.54) ALDH1A1KDM4ETDP1CYP2C9CYP2C19
SCHEMBL2465863 0.77 MAOB (0.53) ALDH1A1KDM4ETDP1MEN1KMT2A
SCHEMBL2464301 0.74 MAPT (0.61) ALDH1A1KDM4ECYP3A4CYP2C9TSHR
SCHEMBL10812065 0.73 ALDH1A1 (0.55) ALDH1A1KDM4ETDP1SIGMAR1CYP3A4
SCHEMBL27726517 0.73 ALDH1A1 (0.76) ALDH1A1KDM4ETDP1CYP3A4CYP2C9
SCHEMBL11501912 0.71 MAOB (0.67) ALDH1A1KDM4ETDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608089-B2 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) 2003-08-19 US claimed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP 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
US-6608089-B2 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) 2003-08-19 US disclosed
EP-1212312-B1 NOVEL DERIVATIVES OF FLAVONES, XANTHONES AND COUMARINS INDENA SPA (IT) 2003-04-02 EP disclosed
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 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 ALDH1A1 2996/4885KDM4E 2953/4885TDP1 3006/4885

“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.