SCHEMBL3471000

SCHEMBL3471000

COc1cc2c(OC)c(-c3c(C)cc4c(C(=O)NCC(C)c5ccccc5)c(OC)c(OC)cc4c3OC)c(C)cc2c(C(=O)NCC(C)c2ccccc2)c1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 5/20 0.59
BCL2L1 Q07817 5/20 0.59
MCL1 Q07820 5/20 0.59
BCL2A1 Q16548 5/20 0.59
BAK1 Q16611 2/20 0.59
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
TP53 P04637 1/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KCNA3 P22001 1/20 0.42
CYP3A4 P08684 1/20 0.42
PTGFR P43088 1/20 0.42
ALDH1A1 P00352 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3265536 1.00 BCL2 (0.59) BCL2BCL2L1MCL1BCL2A1BAK1
SCHEMBL15107497 0.93 BCL2 (0.56) BCL2BCL2L1MCL1BCL2A1BAK1
SCHEMBL15107498 0.93 BCL2 (0.56) BCL2BCL2L1MCL1BCL2A1BAK1
SCHEMBL2757180 0.89 BCL2 (0.48) BCL2BCL2L1MCL1BCL2A1BAK1
SCHEMBL3265681 0.87 BCL2L1 (0.79) BCL2BCL2L1MCL1BCL2A1BAK1
SCHEMBL2757197 0.83 BCL2L1 (0.73) BCL2BCL2L1MCL1BCL2A1BAK1
SCHEMBL3472763 0.81 TAAR1 (0.58) BCL2BCL2L1MCL1BCL2A1MAPT
SCHEMBL3474066 0.79 KMT2A (0.52) MCL1MAPTTDP1ALDH1A1POLB
SCHEMBL3473276 0.76 ADORA2A (0.49) TP53MAPTALDH1A1
SCHEMBL3471960 0.75 BCL2 (0.55) BCL2BCL2L1MCL1MAPTNPC1

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
US-8487131-B2 Optically pure apogossypol derivative as pan-active inhibitor of anti-apoptotic B-cell lymphoma/leukemia-2 (BCL-2) SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2013-07-16 US 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 BCL2 11/4885BCL2L1 20/4885MCL1 233/4885

“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.