SCHEMBL4136826

SCHEMBL4136826

C(OCC1CO1)C1CO1.CC(CO)(CO)COC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
TP53 P04637 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
PPARG P37231 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL4136829 0.88 TSHR (0.51) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL4136070 0.85 NPSR1 (0.34) ALDH1A1MEN1CYP1A2KMT2A
SCHEMBL17965675 0.80 TSHR (0.64) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL1471724 0.77 TSHR (0.64) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL1471723 0.77 TSHR (0.57) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
Propane SCHEMBL3297482 0.74 TSHR (0.60) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL5510350 0.73 TSHR (0.38) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL4461926 0.71 TSHR (0.59) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL1069813 0.70 TSHR (0.77) TSHRMAPK1ALDH1A1SMN1; SMN2TP53
SCHEMBL50007 0.69 TSHR (0.63) TSHRMAPK1ALDH1A1SMN1; SMN2TP53

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 TSHR 4392/4885MAPK1 3021/4885ALDH1A1 154/4885

“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.