SCHEMBL5986596

SCHEMBL5986596

[CH2]CCCCCC/C=C/C(C)CCCCCCCCCCCCCCCCCC[CH2]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CYP3A4 P08684 2/20 0.35
MAPT P10636 5/20 0.32
ALDH1A1 P00352 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PTGS1 P23219 1/20 0.31
PPARG P37231 1/20 0.31
OPRK1 P41145 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
LMNA P02545 3/20 0.30
USP2 O75604 1/20 0.30
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
GMNN O75496 2/20 0.30
GLA P06280 2/20 0.30
POLB P06746 2/20 0.30
THRB P10828 2/20 0.30
CETP P11597 2/20 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
SCHEMBL5985536 1.00 MEN1 (0.35) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL5985539 1.00 MEN1 (0.35) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL5986601 1.00 MEN1 (0.35) MEN1KMT2ACYP3A4MAPTALDH1A1
SCHEMBL5984360 0.94 MEN1 (0.33) MEN1KMT2ACYP3A4LMNA
SCHEMBL5985461 0.94 MEN1 (0.33) MEN1KMT2ACYP3A4LMNA
SCHEMBL5984361 0.94 MEN1 (0.33) MEN1KMT2ACYP3A4LMNA
SCHEMBL5985465 0.94 MEN1 (0.33) MEN1KMT2ACYP3A4LMNA
SCHEMBL5985399 0.94
SCHEMBL5985396 0.94
SCHEMBL5984117 0.92 MEN1 (0.35) MEN1KMT2ACYP3A4MAPTALDH1A1

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.