SCHEMBL2118705

SCHEMBL2118705

[CH2]C=CCC(C)CCCC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DNM1 Q05193 2/20 0.32
ACE2 Q9BYF1 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL2118704 1.00 TSHR (0.32) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL2121208 0.86
SCHEMBL2121203 0.86
SCHEMBL2010804 0.79 DNM1 (0.33) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL2848452 0.79 DNM1 (0.33) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL2003416 0.79 DNM1 (0.33) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL9466606 0.79 LMNA (0.35) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL2003417 0.79 DNM1 (0.33) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL2003902 0.77 FFAR1 (0.34) TSHRSMN1; SMN2DNM1ACE2OPRM1
SCHEMBL2003903 0.77 FFAR1 (0.34) TSHRSMN1; SMN2DNM1ACE2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2444401-B1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO (JP) 2014-09-03 EP disclosed
US-8569504-B2 Imidazopyridine compound ONO PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2444401-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 EP disclosed
US-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-19 US disclosed
US-7018993-B2 Antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-03-28 US disclosed
US-20030158164-A1 Novel antiandrogenic agent CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-21 US disclosed
EP-1304334-A1 NOVEL ANTIANDROGENIC AGENT CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-04-23 EP disclosed
EP-1219631-A1 ANTIANDROGEN AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-07-03 EP 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 (2 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-20120094944-A1 NOVEL IMIDAZOPYRIDINE COMPOUND CMA1, ACE, ALPI TSHR 4076/4885SMN1; SMN2 1196/4885DNM1 4725/4885
US-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 TSHR 1026/4885SMN1; SMN2 3633/4885DNM1 3574/4885

“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.