SCHEMBL3420856

SCHEMBL3420856

CC1=C(c2ccc(Cl)cc2)CC(C)(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.53
PTGS1 P23219 5/20 0.53
BCL2L1 Q07817 1/20 0.42
SLC6A3 Q01959 3/20 0.37
BCL2 P10415 1/20 0.37
SLC6A2 P23975 1/20 0.36
ALPL P05186 1/20 0.36
OPRM1 P35372 1/20 0.35
MGAT2 Q10469 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL19014652 0.86 PTGS2 (0.45) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL3420849 0.82 PTGS2 (0.49) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL1700136 0.80 PTGS2 (0.48) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL2484636 0.79 PTGS2 (0.47) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL30074975 0.79 PTGS1 (0.41) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL24775450 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL22560752 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL22560741 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL1959392 0.78 PTGS2 (0.45) PTGS2PTGS1BCL2L1SLC6A3BCL2
SCHEMBL24896301 0.77 PTGS2 (0.44) PTGS2PTGS1BCL2L1SLC6A3BCL2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056737-A1 SYNTHETIC METHOD FOR VENETOCLAX INTERMEDIATE AND ANALOGUES THEREOF 广东莱佛士制药技术有限公司 2022-03-24 WO claimed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO claimed
EP-2970263-B1 PROCESSES FOR THE PREPARATION OF AN APOPTOSIS-INDUCING AGENT ABBVIE INC (US) 2018-05-09 EP disclosed
US-9156856-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-10-13 US disclosed
US-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2013-07-18 US disclosed
EP-2613769-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT Abbvie Inc. (US) 2013-07-17 EP disclosed
EP-2576546-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbvie Inc. (US) 2013-04-10 EP disclosed
WO-2012121758-A1 MELT-EXTRUDED SOLID DISPERSIONS CONTAINING AN APOPTOSIS-INDUCING AGENT ABBVIE INC. (US) 2012-09-13 WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO 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-20130184278-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 PTGS2 172/4885PTGS1 265/4885BCL2L1 4/4885

“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.