SCHEMBL3759822

SCHEMBL3759822

Oc1ccc(C23CC4(c5ccc(O)cc5O)CC(c5ccc(O)cc5O)(C2)CC(c2ccc(O)cc2O)(C3)C4)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.39
CES2 O00748 1/20 0.38
ALOX5 P09917 1/20 0.37
CA12 O43570 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 2/20 0.34
ALOX12 P18054 2/20 0.34
PBRM1 Q86U86 1/20 0.33
EGFR P00533 1/20 0.33
PDK2 Q15119 1/20 0.33
ESR2 Q92731 2/20 0.33
ESR1 P03372 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
SCHEMBL3844976 0.94 TYR (0.35) TYRCES2ALOX5CA12ALDH1A1
SCHEMBL3759906 0.86 CNR2 (0.38) TYRCES2LMNAALOX12ESR1
SCHEMBL2426368 0.82 KMT2A (0.43) ALDH1A1ESR1
SCHEMBL3849644 0.82 ALOX5 (0.38) TYRALOX5LMNAALOX12ESR2
SCHEMBL3842486 0.81 CNR2 (0.34) LMNAALOX12
SCHEMBL3762674 0.81 ALOX5AP (0.40) TYRALOX5CA12ALDH1A1CA1
SCHEMBL3841203 0.80 LMNA (0.33) ALDH1A1LMNAALOX12ESR2ESR1
SCHEMBL3843069 0.80 CNR2 (0.35) LMNAALOX12
SCHEMBL3845893 0.79 CNR2 (0.38) ESR1
SCHEMBL2420330 0.77 MEN1 (0.50) ALDH1A1ALOX12

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 TYR 3993/4885CES2 196/4885ALOX5 87/4885

“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.