SCHEMBL4136810

SCHEMBL4136810

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EPHX2 P34913 6/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL27772143 0.89 ALDH1A1 (0.40) ALDH1A1ALOX15NPC1SMN1; SMN2EPHX2
SCHEMBL9244526 0.80 EPHX2 (0.47) ALDH1A1ALOX15NPC1SMN1; SMN2EPHX2
SCHEMBL28931784 0.79 LMNA (0.42) ALDH1A1NPC1EPHX2MEN1KMT2A
SCHEMBL18135491 0.78 MEN1 (0.43) ALDH1A1ALOX15NPC1SMN1; SMN2EPHX2
SCHEMBL8097536 0.76 ALDH1A1 (0.46) ALDH1A1NPC1SMN1; SMN2EPHX2NPSR1
SCHEMBL9619395 0.76 ALDH1A1 (0.38) ALDH1A1ALOX15NPC1SMN1; SMN2EPHX2
SCHEMBL354415 0.76 SLC22A2 (0.43) ALDH1A1ALOX15NPC1EPHX2KDM4E
SCHEMBL28524736 0.73 EPHX2 (0.40) ALDH1A1NPC1SMN1; SMN2EPHX2MEN1
SCHEMBL6046137 0.72 LCK (0.47) ALDH1A1EPHX2MEN1KMT2A
SCHEMBL4028622 0.72 ALDH1A1 (0.44) ALDH1A1ALOX15NPC1SMN1; SMN2EPHX2

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-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2009-05-28 US disclosed
EP-1930327-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2008-06-11 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-20090137774-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC COMPONENT USING SAME GJA1, CDH1, OR10J3 ALDH1A1 154/4885ALOX15 39/4885NPC1 2914/4885

“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.