SCHEMBL3752388

SCHEMBL3752388

Oc1cc(O)c(C23CC4(c5c(O)cc(O)cc5O)CC(c5c(O)cc(O)cc5O)(C2)CC(c2c(O)cc(O)cc2O)(C3)C4)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.40
BACE1 P56817 1/20 0.37
NQO1 P15559 1/20 0.36
CYP3A4 P08684 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
FASN P49327 1/20 0.32
NQO2 P16083 1/20 0.31
CA12 O43570 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
PTGS1 P23219 1/20 0.30
DRD3 P35462 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
SCHEMBL3767278 0.84 MEN1 (0.37) NQO1MEN1KMT2A
SCHEMBL3752143 0.80 MEN1 (0.43) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL3757087 0.74 ALOX15 (0.45) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL3762662 0.74 MEN1 (0.50) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL3764530 0.72 NQO1 (0.32) TDP1BACE1NQO1CYP3A4MEN1
SCHEMBL3759822 0.67 TYR (0.39) CA12ALDH1A1CA2LMNACA9
SCHEMBL3758457 0.65 ALDH1A1 (0.41) TDP1CYP3A4HPGDALDH1A1CA2
SCHEMBL3692773 0.62 CYP1A2 (0.47) TDP1CYP3A4MEN1KMT2AHPGD
SCHEMBL67497 0.61 BACE1 (0.54) TDP1BACE1NQO1CYP3A4MEN1
SCHEMBL321298 0.61 NQO1 (0.65) TDP1BACE1NQO1CYP3A4MEN1

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 TDP1 738/4885BACE1 184/4885NQO1 1347/4885

“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.