SCHEMBL5986245

SCHEMBL5986245

[CH2]CCCCC/C=C/C(CC)CCC[CH2]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
CYP3A4 P08684 1/20 0.37
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SPHK2 Q9NRA0 4/20 0.32
SPHK1 Q9NYA1 4/20 0.32
MAPT P10636 3/20 0.32
CETP P11597 3/20 0.32
GMNN O75496 2/20 0.32
LMNA P02545 2/20 0.32
GLA P06280 2/20 0.32
POLB P06746 2/20 0.32
THRB P10828 2/20 0.32
MAPK1 P28482 2/20 0.32
CXCR5 P32302 2/20 0.32

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
SCHEMBL5986250 1.00 MEN1 (0.37) MEN1KMT2ACYP3A4PTGS1PPARG
SCHEMBL5984611 0.98 MEN1 (0.34) MEN1KMT2ACYP3A4PTGS1PPARG
SCHEMBL5984614 0.98 MEN1 (0.34) MEN1KMT2ACYP3A4PTGS1PPARG
SCHEMBL5985579 0.96 MEN1 (0.37) MEN1KMT2ACYP3A4PTGS1PPARG
SCHEMBL5985573 0.96 MEN1 (0.37) MEN1KMT2ACYP3A4PTGS1PPARG
SCHEMBL5985366 0.92 MEN1 (0.33) MEN1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL5985363 0.92 MEN1 (0.33) MEN1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL5987144 0.92 TSHR (0.34) MEN1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL5987145 0.92 TSHR (0.34) MEN1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL5986851 0.92 MEN1 (0.33) MEN1KMT2ACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20030158164-A1 Novel antiandrogenic agent NR5A1, CYP19A1, HSD17B11 MEN1 1082/4885KMT2A 2318/4885CYP3A4 728/4885

“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.