SCHEMBL6580431

SCHEMBL6580431

OCC(O)Cc1nccn1CCCc1cccc(OCc2coc(C=Cc3ccc(F)cc3F)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.37
ERBB2 P04626 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.32
PPARG P37231 2/20 0.31
CYSLTR2 Q9NS75 2/20 0.30
CYSLTR1 Q9Y271 2/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6580427 1.00 PPARA (0.37) PPARAERBB2MINK1PTGDR2PPARG
SCHEMBL3677614 0.90 ERBB2 (0.44) ERBB2MINK1FFAR1
SCHEMBL3677617 0.90 ERBB2 (0.44) ERBB2MINK1FFAR1
SCHEMBL3682995 0.85 ERBB2 (0.52) PPARAERBB2MINK1PPARG
SCHEMBL3682992 0.85 ERBB2 (0.52) PPARAERBB2MINK1PPARG
SCHEMBL6582396 0.82 ERBB2 (0.44) PPARAERBB2MINK1PPARGFFAR1
SCHEMBL6582402 0.82 ERBB2 (0.44) PPARAERBB2MINK1PPARGFFAR1
SCHEMBL6976396 0.82 PPARA (0.40) PPARAERBB2MINK1PPARGCYSLTR2
SCHEMBL6584346 0.81 ERBB2 (0.46) ERBB2MINK1FFAR1
SCHEMBL6584353 0.81 ERBB2 (0.46) ERBB2MINK1FFAR1

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-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
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
US-20040024035-A1 Heterocyclic compounds, their production and use TASAKA AKIHIRO (JP) 2004-02-05 US disclosed
EP-1350792-A1 MEDICINAL COMPOSITIONS IMPROVED IN SOLUBLITY IN WATER Takeda Chemical Industries, Ltd. (JP) 2003-10-08 EP disclosed
EP-1350793-A1 MEDICINAL COMPOSITIONS HAVING IMPROVED ABSORBABILITY 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 (5 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-20040024035-A1 Heterocyclic compounds, their production and use ABL1, ROS1, MAPK1 PPARA 3705/4885ERBB2 6/4885MINK1 340/4885
US-20020173526-A1 Heterocyclic compounds their production and use ABL1, ROS1, MAPK1 PPARA 4010/4885ERBB2 8/4885MINK1 258/4885
US-20040058956-A1 Pharmaceutical composition having an improved water solubility ERBB2, EGFR, ABCG2 PPARA 2455/4885ERBB2 1/4885MINK1 3888/4885
US-20040138160-A1 Preventive/therapeutic method for cancer EGFR, ERBB2, ERBB3 PPARA 633/4885ERBB2 2/4885MINK1 2919/4885
US-20040053972-A1 Medicinal compositions having improved absorbability EGFR, ERBB2, ERBB3 PPARA 2800/4885ERBB2 2/4885MINK1 3017/4885

“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.