SCHEMBL354656

SCHEMBL354656

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)N(Cc5ccccc5)Cc5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(N)=O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.39
LPAR1 Q92633 4/20 0.39
KLK1 P06870 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LPAR2 Q9HBW0 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL355205 0.89 SMN1; SMN2 (0.40) MEN1KMT2ATSHRTDP1
SCHEMBL353822 0.83 BCL2 (0.40) MEN1KMT2AL3MBTL1TDP1
SCHEMBL354841 0.81 TAS1R3 (0.37) MEN1KMT2ATSHRMAPK1L3MBTL1
SCHEMBL355339 0.80 OXTR (0.37) LPAR1TDP1TP53
SCHEMBL353665 0.78 BCL2 (0.37) MEN1KMT2AMAPK1ALDH1A1TDP1
SCHEMBL353452 0.75 MEN1 (0.37) MEN1KMT2ATSHRL3MBTL1TDP1
SCHEMBL3472763 0.74 TAAR1 (0.58) MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL353909 0.73 MEN1 (0.43) MEN1KMT2AL3MBTL1ALDH1A1TDP1
SCHEMBL353877 0.72 BCL2L1 (0.64) TDP1
SCHEMBL3474066 0.71 KMT2A (0.52) MEN1KMT2AALDH1A1TDP1

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 5 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-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2012-01-19 US disclosed
US-8039668-B2 Naphthalene-based inhibitors of anti-apoptotic proteins BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2011-10-18 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 (2 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 MEN1 4843/4885KMT2A 4765/4885TSHR 4468/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 MEN1 4790/4885KMT2A 4720/4885TSHR 4589/4885

“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.