SCHEMBL4454964

SCHEMBL4454964

CCCCOC(=O)C12CC3CC(C(=O)O)(C1)CC(C(=O)OCCCC)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
EPHX2 P34913 5/20 0.39
ALDH1A1 P00352 3/20 0.39
ATM Q13315 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7455720 0.86 NPSR1 (0.48) NPSR1EPHX2ALDH1A1ATMHPGD
SCHEMBL692776 0.84 NPSR1 (0.63) NPSR1EPHX2ALDH1A1MEN1KMT2A
SCHEMBL6742511 0.83 NPSR1 (0.44) NPSR1EPHX2ALDH1A1ATMHPGD
SCHEMBL29135724 0.82 NPSR1 (0.55) NPSR1EPHX2ALDH1A1HCAR2
SCHEMBL6452242 0.80 EPHX2 (0.52) NPSR1EPHX2ALDH1A1ATMMEN1
SCHEMBL29135604 0.78 NPSR1 (0.60) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13084353 0.78 NPSR1 (0.60) NPSR1EPHX2ALDH1A1TSHR
SCHEMBL691868 0.78 NPSR1 (0.60) NPSR1EPHX2ALDH1A1TSHR
SCHEMBL30352838 0.78 NPSR1 (0.43) NPSR1EPHX2ALDH1A1HCAR2TSHR
SCHEMBL1733349 0.78 NPSR1 (0.43) NPSR1ALDH1A1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM IDEMITSU KOSAN CO., LTD. (JP) 2009-04-16 US disclosed
EP-2014639-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM Idemitsu Kosan Co., Ltd. (JP) 2009-01-14 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-20090099326-A1 FLUORINE-CONTAINING ADAMANTANE DERIVATIVE, FLUORINE-CONTAINING ADAMANTANE DERIVATIVE HAVING POLYMERIZABLE GROUP, RESIN COMPOSITION CONTAINING THE SAME, AND ANTIREFLECTION FILM ADGRF1, RFT1, AFF1 NPSR1 897/4885EPHX2 1783/4885ALDH1A1 282/4885

“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.