SCHEMBL5984822

SCHEMBL5984822

[CH2]CCCCCCCCCCCCCCCCCCCCC(CC)CCCCC[CH2]

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CA2 P00918 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.31
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 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
SCHEMBL5985830 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5984758 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5985107 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5985735 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5987013 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5985621 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5983813 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5985804 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5984907 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR
SCHEMBL5984120 1.00 ALDH1A1 (0.39) ALDH1A1TDP1LMNACYP3A4TSHR

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 ALDH1A1 399/4885TDP1 3394/4885LMNA 2182/4885

“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.