SCHEMBL3473276

SCHEMBL3473276

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)NCc5cccc(C)c5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(=O)NCc2cccc(C)c2)c1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
MMP13 P45452 3/20 0.45
HPGD P15428 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 3/20 0.43
MAPT P10636 2/20 0.42
IGF1R P08069 1/20 0.41
ALK Q9UM73 1/20 0.41
TP53 P04637 1/20 0.40
PKM P14618 1/20 0.40
PDE7A Q13946 1/20 0.40
PDE3A Q14432 1/20 0.40

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
SCHEMBL3471236 0.90 MAPT (0.51) ALDH1A1LMNAMAPT
SCHEMBL3471960 0.82 BCL2 (0.55) HPGDALDH1A1KDM4EHSD17B10SMN1; SMN2
SCHEMBL3472763 0.82 TAAR1 (0.58) HPGDALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL3265536 0.76 BCL2 (0.59) ALDH1A1MAPTTP53
SCHEMBL3471000 0.76 BCL2 (0.59) ALDH1A1MAPTTP53
SCHEMBL3474066 0.75 KMT2A (0.52) HPGDALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL3472615 0.73 BCL2L1 (0.67) MMP13HPGDALDH1A1KDM4EHSD17B10
SCHEMBL353909 0.72 MEN1 (0.43) HPGDALDH1A1KDM4EHSD17B10LMNA
SCHEMBL28404148 0.72 HPGD (0.74) ADORA2AMMP13HPGDALDH1A1KDM4E
SCHEMBL29936750 0.72 HPGD (0.74) ADORA2AMMP13HPGDALDH1A1KDM4E

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
EP-2418942-B1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS SANFORD-BURNHAM MEDICAL RES INST (US) 2017-08-23 EP disclosed
US-8436207-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2013-05-07 US disclosed
US-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-10-21 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-20100267781-A1 NAPHTHALENE-BASED INHIBITORS OF ANTI-APOPTOTIC PROTEINS HAX1, BAX, APOL1 ADORA2A 4358/4885MMP13 1117/4885HPGD 254/4885

“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.