SCHEMBL845057

SCHEMBL845057

CCC(=O)C(c1ccccc1)c1ccccc1OCCCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.48
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 2/20 0.39
TP53 P04637 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GMNN O75496 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL462447 0.74 CYP1A2 (0.66) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL31538813 0.73 ALDH1A1 (0.54) CYP1A2ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL27433410 0.73 ALDH1A1 (0.54) CYP1A2ALDH1A1MEN1KMT2ACYP2D6
Hydrochloric Acid SCHEMBL3647675 0.72 ALDH1A1 (0.64) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4503545 0.71 LMNA (0.43) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8172224 0.71 LMNA (0.59) CYP1A2ALDH1A1SMN1; SMN2KMT2ACYP2D6
SCHEMBL5825618 0.71 KMT2A (0.54) CYP1A2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL4504332 0.70 KDM4E (0.43) ALDH1A1SMN1; SMN2CYSLTR2CYSLTR1MEN1
SCHEMBL4509859 0.70 LMNA (0.42) CYP1A2ALDH1A1SMN1; SMN2CYSLTR2CYSLTR1
SCHEMBL4427773 0.69 L3MBTL1 (0.60) CYP1A2ALDH1A1MEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11672758-B2 Endoxifen methods and compositions for inhibition of protein kinase C JINA PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
US-20210177752-A1 ENDOXIFEN METHODS AND COMPOSITIONS FOR INHIBITION OF PROTEIN KINASE C JINA PHARMACEUTICALS, INC. 2021-06-17 US disclosed
US-10376479-B2 Endoxifen compositions and methods JINA PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20190231687-A1 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF PSYCHIATRIC AND NEURODEGENERATIVE DISEASES JINA PHARMACEUTICALS, INC. 2019-08-01 US disclosed
EP-2101731-B1 ENDOXIFEN FOR USE IN THE TREATMENT OF CANCER JINA PHARMACEUTICALS INC (US) 2018-01-31 EP disclosed
US-20160346230-A1 Endoxifen Compositions And Methods JINA PHARMACEUTICALS, INC. 2016-12-01 US disclosed
US-9333190-B2 Endoxifen compositions and methods JINA PHARMACEUTICALS, INC. (US) 2016-05-10 US disclosed
US-20120164075-A1 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF MAMMALIAN DISEASES JINA PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
EP-2432462-A2 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF MAMMALIAN DISEASES Jina Pharmaceuticals Inc. (US) 2012-03-28 EP disclosed
WO-2010135703-A2 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF MAMMALIAN DISEASES JINA PHARMACEUTICALS, INC. (US) 2010-11-25 WO disclosed
US-20100112041-A1 Endoxifen Compositions And Methods JINA PHARMACEUTICALS, INC. (US) 2010-05-06 US disclosed
US-20090291134-A1 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF PSYCHIATRIC AND NEURODEGENERATIVE DISEASES JINA PHARMACEUTICALS, INC. (US) 2009-11-26 US disclosed
EP-2101731-A2 ENDOXIFEN METHODS AND COMPOSITIONS Jina Pharmaceuticals Inc. (US) 2009-09-23 EP disclosed
WO-2008070463-A9 ENDOXIFEN METHODS AND COMPOSITIONS JINA PHARMACEUTICALS INC (US) 2008-09-18 WO disclosed
WO-2008070463-A2 ENDOXIFEN METHODS AND COMPOSITIONS JINA PHARMACEUTICALS, INC. (US) 2008-06-12 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 (8 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-20100112041-A1 Endoxifen Compositions And Methods CYP46A1, PLA2G2F, VDR CYP1A2 401/4885ALDH1A1 4041/4885SMN1; SMN2 4721/4885
US-20160346230-A1 Endoxifen Compositions And Methods CYP46A1, PLA2G2F, VDR CYP1A2 401/4885ALDH1A1 4041/4885SMN1; SMN2 4721/4885
US-20090291134-A1 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF PSYCHIATRIC AND NEURODEGENERATIVE DISEASES NLN, BDNF, LITAF CYP1A2 686/4885ALDH1A1 2971/4885SMN1; SMN2 187/4885
US-10376479-B2 Endoxifen compositions and methods CYP46A1, PLA2G2F, VDR CYP1A2 401/4885ALDH1A1 4041/4885SMN1; SMN2 4721/4885
US-20120164075-A1 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF MAMMALIAN DISEASES ENPP2, ERAL1, LITAF CYP1A2 696/4885ALDH1A1 3680/4885SMN1; SMN2 1027/4885
US-20190231687-A1 ENDOXIFEN METHODS AND COMPOSITIONS IN THE TREATMENT OF PSYCHIATRIC AND NEURODEGENERATIVE DISEASES NLN, BDNF, LITAF CYP1A2 686/4885ALDH1A1 2971/4885SMN1; SMN2 187/4885
US-20210177752-A1 ENDOXIFEN METHODS AND COMPOSITIONS FOR INHIBITION OF PROTEIN KINASE C EEF2K, LITAF, RAPGEF3 CYP1A2 3363/4885ALDH1A1 4639/4885SMN1; SMN2 811/4885
US-11672758-B2 Endoxifen methods and compositions for inhibition of protein kinase C EEF2K, LITAF, RAPGEF3 CYP1A2 3363/4885ALDH1A1 4639/4885SMN1; SMN2 811/4885

“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.