SCHEMBL1700653

SCHEMBL1700653

COC(=O)C1(C)CCCC2(C1)OCCO2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 2/20 0.33
CYP3A4 P08684 1/20 0.33
POLB P06746 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD11B1 P28845 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
SCHEMBL14313606 0.82 ALDH1A1 (0.36) CYP2C9CYP2C19KMT2AMEN1CYP3A4
SCHEMBL15236865 0.82 ALDH1A1 (0.36) CYP2C9CYP2C19KMT2AMEN1CYP3A4
SCHEMBL17893326 0.81 NPSR1 (0.43) NPSR1KMT2AMEN1CYP3A4POLB
SCHEMBL15115661 0.80 FFAR3 (0.43) ALDH1A1SMN1; SMN2HSD11B1
SCHEMBL3198604 0.80 KMT2A (0.38) NPSR1CYP2C19KMT2AMEN1CYP3A4
SCHEMBL1928676 0.77
SCHEMBL11353255 0.76 NPSR1 (0.39) NPSR1KMT2AMEN1CYP3A4POLB
SCHEMBL17893331 0.74 FFAR3 (0.44) NPSR1KMT2AMEN1CYP3A4POLB
SCHEMBL17958 0.72 NPSR1 (0.52) NPSR1KMT2AMEN1CYP3A4LMNA
SCHEMBL17893308 0.72 FFAR3 (0.43) NPSR1KMT2AMEN1CYP3A4POLB

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 7 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-9034875-B2 Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases ABBVIE INC. (US) 2015-05-19 US 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
US-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBVIE INC (US) 2013-10-10 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 (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-20130267514-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 NPSR1 4799/4885CYP2C9 4868/4885CYP2C19 4870/4885
US-20110124628-A1 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES BCL2, BAX, BCL3 NPSR1 4799/4885CYP2C9 4868/4885CYP2C19 4870/4885

“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.