SCHEMBL3682995

SCHEMBL3682995

OCC(O)Cc1nccn1CCCc1cccc(OCc2coc(C=Cc3ccc(C(F)(F)F)cc3)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 19/20 0.52
MINK1 Q8N4C8 1/20 0.52
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL3682992 1.00 ERBB2 (0.52) ERBB2MINK1PPARGPPARA
SCHEMBL6582242 0.89 ERBB2 (0.65) ERBB2MINK1
SCHEMBL6582246 0.89 ERBB2 (0.65) ERBB2MINK1
SCHEMBL6580427 0.85 PPARA (0.37) ERBB2MINK1PPARGPPARA
SCHEMBL6580431 0.85 PPARA (0.37) ERBB2MINK1PPARGPPARA
SCHEMBL3673805 0.82 ERBB2 (0.66) ERBB2MINK1
SCHEMBL3673807 0.82 ERBB2 (0.66) ERBB2MINK1
SCHEMBL6583955 0.81 ERBB2 (0.54) ERBB2MINK1
SCHEMBL6583953 0.81 ERBB2 (0.54) ERBB2MINK1
SCHEMBL5751242 0.81 ERBB2 (0.72) ERBB2MINK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286063-A1 GNRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-11-11 US disclosed
US-20070179097-A1 GnRH agonist combination drugs TAKEDA PHARMACEUTICAL COMPANY LIMITED 2007-08-02 US disclosed
US-20050215528-A1 Breast cancer, precocious puberty, endometriosis, hysteromyoma, Alzheimer's disease, circulatory organ disease, menopausal syndrome, metastasis, premenstrual tension, dysmenorrhea or calcium/phosphorus bone dysbolism; combined with selective estrogen receptor modulator (SERM); side effect reduction TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-29 US disclosed
US-20040138160-A1 Preventive/therapeutic method for cancer TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-15 US disclosed
US-20040116330-A1 Diagnosing or specifying a growth factor receptor expressed in cancer cells, and selectively inhibiting all or a part of the growth factor receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1424080-A1 GNRH AGONIST COMBINATION DRUGS Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
US-6716863-B2 TYROSINE KINASE INHIBITORS; ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-06 US disclosed
US-20040058956-A1 Pharmaceutical composition having an improved water solubility TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-25 US disclosed
US-20040053972-A1 Medicinal compositions having improved absorbability TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2004-03-18 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
US-20020173526-A1 Heterocyclic compounds their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-11-21 US 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 (7 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-20100286063-A1 GNRH agonist combination drugs GNRHR, FSHR, EDNRA ERBB2 1062/4885MINK1 1352/4885PPARG 1317/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 ERBB2 8/4885MINK1 258/4885PPARG 4093/4885
US-20050215528-A1 Breast cancer, precocious puberty, endometriosis, hysteromyoma, Alzheimer's disease, circulatory organ disease, menopausal syndrome, metastasis, premenstrual tension, dysmenorrhea or calcium/phosphorus bone dysbolism; combined with selective estrogen receptor modulator (SERM); side effect reduction GNRHR, BRCA1, SHBG ERBB2 744/4885MINK1 1439/4885PPARG 2484/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 ERBB2 1/4885MINK1 3888/4885PPARG 1567/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 2919/4885PPARG 546/4885
US-20070179097-A1 GnRH agonist combination drugs GNRHR, FSHR, EDNRA ERBB2 1062/4885MINK1 1352/4885PPARG 1317/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 ERBB2 2/4885MINK1 3017/4885PPARG 1796/4885

“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.