SCHEMBL2710593

SCHEMBL2710593

Nc1ccc(Oc2ccc(C34CC5CC(C3)CC(c3ccc(Oc6ccc(N)c(O)c6)cc3)(C5)C4)cc2)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
ALDH1A1 P00352 4/20 0.47
LMNA P02545 4/20 0.44
PGR P06401 2/20 0.44
MMP2 P08253 1/20 0.43
MMP14 P50281 1/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
GFER P55789 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL4991468 0.94 ALDH1A1 (0.44) ESR1ALDH1A1LMNAPGRMMP2
SCHEMBL5086572 0.92 MEN1 (0.50) ESR1ALDH1A1LMNAMMP2MMP14
SCHEMBL2706961 0.89 ALDH1A1 (0.47) ESR1ALDH1A1LMNAPGRMEN1
SCHEMBL31544679 0.89 ALDH1A1 (0.47) ESR1ALDH1A1LMNAPGRMEN1
SCHEMBL2709501 0.84 MEN1 (0.57) ESR1ALDH1A1LMNAPGRMEN1
SCHEMBL2710493 0.81 ALDH1A1 (0.64) ESR1ALDH1A1LMNAPGRMEN1
SCHEMBL2710589 0.80 MMP2 (0.35) ESR1ALDH1A1LMNAPGRMMP2
SCHEMBL2709018 0.80 MMP2 (0.43) ESR1ALDH1A1MMP2MMP14MEN1
SCHEMBL2707241 0.79 MEN1 (0.44) ESR1ALDH1A1LMNAMMP2MMP14
SCHEMBL3191103 0.79 MEN1 (0.39) ESR1ALDH1A1LMNAPGRMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US claimed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 US claimed
EP-2000510-B1 RESIN COMPOSITION, VARNISH, RESIN FILM, AND SEMICONDUCTOR DEVICE USING THE RESIN FILM SUMITOMO BAKELITE CO (JP) 2012-05-02 EP disclosed
US-7863347-B2 Resin composition, varnish, resin film and semiconductor device using the same SUMITOMO BAKELITE COMPANY, LTD. (JP) 2011-01-04 US disclosed
US-20090118431-A1 RESIN COMPOSITION, VARNISH, RESIN FILM AND SEMICONDUCTOR DEVICE USING THE SAME SUMITOMO BAKELITE COMPANY, LTD (JP) 2009-05-07 US disclosed
EP-2000510-A1 RESIN COMPOSITION, VARNISH, RESIN FILM, AND SEMICONDUCTOR DEVICE USING THE RESIN FILM Sumitomo Bakelite Company, Ltd. (JP) 2008-12-10 EP disclosed
US-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US disclosed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 US 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 ESR1 3303/4885ALDH1A1 206/4885LMNA 2945/4885

“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.