SCHEMBL3472763

SCHEMBL3472763

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)NCCc5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(=O)NCCc2ccccc2)c1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.58
BCL2 P10415 3/20 0.57
BCL2L1 Q07817 3/20 0.57
MCL1 Q07820 3/20 0.57
BCL2A1 Q16548 2/20 0.57
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
POLB P06746 1/20 0.48
USP2 O75604 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45

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 0.91 MAPT (0.51) TAAR1BCL2BCL2L1MCL1BCL2A1
SCHEMBL3471000 0.81 BCL2 (0.59) BCL2BCL2L1MCL1BCL2A1NPC1
SCHEMBL3265536 0.81 BCL2 (0.59) BCL2BCL2L1MCL1BCL2A1NPC1
SCHEMBL3474066 0.81 KMT2A (0.52) MCL1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL353840 0.78 BCL2 (0.48) BCL2BCL2L1MCL1BCL2A1KDM4E
SCHEMBL353111 0.77 TACR3 (0.54) SMN1; SMN2ALDH1A1LMNAHPGDKDM4E
SCHEMBL3471960 0.76 BCL2 (0.55) BCL2BCL2L1MCL1NPC1MAPT
SCHEMBL353909 0.76 MEN1 (0.43) MAPTALDH1A1LMNAHPGDPOLB
SCHEMBL15107497 0.76 BCL2 (0.56) BCL2BCL2L1MCL1BCL2A1NPC1
SCHEMBL15107498 0.76 BCL2 (0.56) BCL2BCL2L1MCL1BCL2A1NPC1

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 TAAR1 4231/4885BCL2 11/4885BCL2L1 20/4885

“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.