SCHEMBL3756613

SCHEMBL3756613

Oc1ccc(C23CC4(c5ccc(O)c(O)c5O)CC(c5ccc(O)c(O)c5O)(C2)CC(c2ccc(O)c(O)c2O)(C3)C4)c(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
PIM1 P11309 1/20 0.33
ADAMTS4 O75173 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
FYN P06241 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
MMP8 P22894 1/20 0.33
CA6 P23280 1/20 0.33
CDK2 P24941 1/20 0.33
MMP12 P39900 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3759929 0.85 MEN1 (0.39) ALDH1A1HPGDALOX15HSD17B10TP53
SCHEMBL3757853 0.82 KMT2A (0.44) ALDH1A1LMNAHPGDALOX15HSD17B10
SCHEMBL3757837 0.78 ALDH1A1 (0.50) ADAMTS4ALDH1A1EGFRCA1CA2
SCHEMBL3768061 0.76 MEN1 (0.52) ALDH1A1LMNAHPGDALOX15RECQL
SCHEMBL3758457 0.72 ALDH1A1 (0.41) SELLSELPPIM1ADAMTS4ALDH1A1
SCHEMBL338346 0.71 ALDH1A1 (0.57) SELLSELPPIM1ADAMTS4ALDH1A1
SCHEMBL29373601 0.71 ALDH1A1 (0.57) SELLSELPPIM1ADAMTS4ALDH1A1
SCHEMBL3759822 0.68 TYR (0.39) ALDH1A1EGFRCA1CA2LMNA
SCHEMBL3762674 0.68 ALOX5AP (0.40) ALDH1A1EGFRCA1CA2LMNA
Hydrochloric Acid SCHEMBL21799214 0.67 ALDH1A1 (0.53) SELLSELPPIM1ADAMTS4ALDH1A1

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 SELL 1008/4885SELP 2027/4885PIM1 1784/4885

“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.