SCHEMBL353111

SCHEMBL353111

CCC(NC(=O)c1c(OC)c(OC)cc2c(OC)c(-c3c(C)cc4c(C(=O)NC(CC)c5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc12)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 16/20 0.54
TACR2 P21452 5/20 0.54
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44

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
SCHEMBL3471000 0.81 BCL2 (0.59) ALDH1A1TP53CYP3A4
SCHEMBL3265536 0.81 BCL2 (0.59) ALDH1A1TP53CYP3A4
SCHEMBL3474066 0.79 KMT2A (0.52) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL3472763 0.77 TAAR1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL15107498 0.76 BCL2 (0.56) TP53CYP3A4
SCHEMBL15107497 0.76 BCL2 (0.56) TP53CYP3A4
SCHEMBL353909 0.74 MEN1 (0.43) ALDH1A1MEN1CYP3A4KMT2AATM
SCHEMBL3475229 0.74 BCL2L1 (0.66) TACR3TACR2ALDH1A1TSHRCYP1A2
SCHEMBL3473620 0.74 PGR (0.48) ALDH1A1MEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL2757180 0.72 BCL2 (0.48) TP53CYP3A4

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 TACR3 4188/4885TACR2 4452/4885TAS1R3 3807/4885
US-20120015992-A1 Napthalene-Based Inhibitors of Anti-Apoptotic Proteins HAX1, PRDX1, APOL1 TACR3 4302/4885TACR2 4374/4885TAS1R3 3873/4885

“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.