SCHEMBL18151845

SCHEMBL18151845

CC1(C)CC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)O)cc3)CC2)CO1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.68
BCL2 P10415 8/20 0.52
BID P55957 7/20 0.46
BCL2A1 Q16548 7/20 0.46
BAK1 Q16611 2/20 0.44
ADORA1 P30542 1/20 0.43
HTR1A P08908 1/20 0.43
ENPP2 Q13822 1/20 0.42

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
SCHEMBL21751677 0.85 BCL2L1 (0.51) BCL2L1BCL2
SCHEMBL2972697 0.83 BCL2L1 (0.85) BCL2L1BCL2BIDBCL2A1
Oxalic Acid SCHEMBL29832219 0.82 BCL2L1 (0.82) BCL2L1BCL2BIDBCL2A1
SCHEMBL1567421 0.81 BCL2L1 (1.00) BCL2L1BCL2BIDBCL2A1
SCHEMBL1955370 0.81 BCL2L1 (0.66) BCL2L1BCL2BIDBCL2A1ADORA1
SCHEMBL1958566 0.80 BCL2 (0.61) BCL2
SCHEMBL21751620 0.80 BCL2 (0.48) BCL2L1BCL2
SCHEMBL1956837 0.79 BCL2 (0.63) BCL2L1BCL2
SCHEMBL25712911 0.79 BCL2L1 (0.81) BCL2L1BCL2BIDBCL2A1BAK1
SCHEMBL29402573 0.79 BCL2L1 (0.66) BCL2L1BCL2BIDBCL2A1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2018-09-06 US disclosed
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2016-10-20 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-20180251426-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885BID 22/4885
US-20160304451-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 BCL2L1 4/4885BCL2 1/4885BID 22/4885

“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.