SCHEMBL3758457

SCHEMBL3758457

Oc1ccc(O)c(C23CC4(c5c(O)ccc(O)c5O)CC(c5c(O)ccc(O)c5O)(C2)CC(c2c(O)ccc(O)c2O)(C3)C4)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CDK2 P24941 2/20 0.41
ADAMTS4 O75173 1/20 0.41
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FYN P06241 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
CA6 P23280 1/20 0.41
MMP12 P39900 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
PIM1 P11309 1/20 0.35

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
SCHEMBL3757018 0.84 MEN1 (0.40) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3762683 0.81 MEN1 (0.46) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3757087 0.78 ALOX15 (0.45) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL4677956 0.75 MEN1 (0.53) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3756613 0.72 SELL (0.34) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3757837 0.70 ALDH1A1 (0.50) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL338346 0.65 ALDH1A1 (0.57) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL29373601 0.65 ALDH1A1 (0.57) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3752388 0.65 TDP1 (0.40) ALDH1A1LMNAHPGDHSD17B10CA2
SCHEMBL9326775 0.64 CYP1A2 (0.46) ALDH1A1LMNAHPGDALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084650-B2 Adamantane derivative, resin composition containing same, and optoelectronic member and sealing agent for electronic circuit using those IDEMITSU KOSAN CO., LTD. (JP) 2011-12-27 US disclosed
US-20100298491-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE IDEMITSU KOSAN CO., LTD. (JP) 2010-11-25 US disclosed
EP-1985616-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE Idemitsu Kosan Co., Ltd. (JP) 2008-10-29 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-20100298491-A1 ADAMANTANE DERIVATIVE, RESIN COMPOSITION CONTAINING SAME, AND OPTOELECTRONIC MEMBER AND SEALING AGENT FOR ELECTRONIC CIRCUIT USING THOSE AOC1, ASIC1, ICAM1 ALDH1A1 10/4885LMNA 2253/4885HPGD 1071/4885

“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.