SCHEMBL6849516

SCHEMBL6849516

PC(c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.45
SIGMAR1 Q99720 11/20 0.44
EPHX2 P34913 3/20 0.40
P2RX7 Q99572 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.36

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
SCHEMBL28531066 0.78 SIGMAR1 (0.45) EPHX1SIGMAR1EPHX2KMT2AALDH1A1
SCHEMBL5610447 0.76 EPHX1 (0.45) EPHX1SIGMAR1EPHX2P2RX7KMT2A
SCHEMBL5610374 0.76 SIGMAR1 (0.44) EPHX1SIGMAR1EPHX2KMT2AALDH1A1
SCHEMBL29244326 0.76 EPHX1 (0.45) EPHX1SIGMAR1EPHX2
SCHEMBL30195756 0.76 SIGMAR1 (0.48) EPHX1SIGMAR1EPHX2P2RX7ALDH1A1
SCHEMBL11447336 0.76 EPHX1 (0.45) EPHX1SIGMAR1EPHX2P2RX7KMT2A
SCHEMBL28699952 0.74 EPHX2 (0.39) SIGMAR1EPHX2P2RX7KMT2AMEN1
SCHEMBL30195822 0.73 HSD11B1 (0.45) EPHX1SIGMAR1EPHX2P2RX7
SCHEMBL7168330 0.72 EPHX1 (0.45) EPHX1SIGMAR1EPHX2P2RX7KMT2A
SCHEMBL11652443 0.72 SIGMAR1 (0.41) EPHX1SIGMAR1EPHX2KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics EVONIK DEGUSSA GMBH (DE) 2004-04-08 US 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-20040068131-A1 (adamantyl)nP(alkyl)m(1a); (adamantyl)o(Alkyl)qP (alkylene')P(adamantyl)r(alkyl)s , wherein adamantyl bonded to phosphorus atom in position 1, or 2, useful for refining halogenoaromatics NAPEPLD, NAPA, APBA1 EPHX1 2739/4885SIGMAR1 901/4885EPHX2 2749/4885

“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.