SCHEMBL1700388

SCHEMBL1700388

COCC1(C)CCC(C=O)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.37
SLC6A2 P23975 2/20 0.36
PTGS2 P35354 4/20 0.35
PTGS1 P23219 3/20 0.35
ACHE P22303 1/20 0.33
SLC6A4 P31645 1/20 0.32
ERN1 O75460 1/20 0.31
BCL2L1 Q07817 1/20 0.31
ACACB O00763 1/20 0.30
ACACA Q13085 1/20 0.30

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
SCHEMBL1700854 0.90 SLC6A3 (0.37) SLC6A3SLC6A2PTGS2PTGS1ACHE
SCHEMBL19867962 0.85 PTGS2 (0.38) SLC6A3SLC6A2PTGS2PTGS1ACHE
SCHEMBL1700136 0.79 PTGS2 (0.48) SLC6A3SLC6A2PTGS2PTGS1BCL2L1
SCHEMBL1700796 0.78
SCHEMBL1700943 0.75
SCHEMBL1700789 0.75 PTGS2 (0.48) SLC6A3PTGS2PTGS1
SCHEMBL24165528 0.72 PTGS2 (0.42) SLC6A3SLC6A2PTGS2PTGS1
SCHEMBL1701087 0.72 PTGS2 (0.38) SLC6A3SLC6A2PTGS2PTGS1ACHE
SCHEMBL15302111 0.71 SLC6A3 (0.35) SLC6A3SLC6A2PTGS2PTGS1SLC6A4
SCHEMBL1958631 0.71 PTGS2 (0.55) SLC6A3PTGS2PTGS1

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-2576546-B1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE BAHAMAS LTD (BS) 2015-07-22 EP disclosed
US-8580794-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2013-11-12 US 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-2011149492-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-12-01 WO disclosed
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-05-26 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-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 SLC6A3 4856/4885SLC6A2 4844/4885PTGS2 172/4885

“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.