SCHEMBL12409771

SCHEMBL12409771

CC(C)C1(C(C)C)CC(=O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 3/20 0.36
▸ CDC25B P30305 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ CFTR P13569 1/20 0.35
▸ GOPC Q9HD26 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ LMNA P02545 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ S100A4 P26447 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ CES2 O00748 1/20 0.34
▸ APAF1 O14727 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
SCHEMBL18163131 0.79 MEN1 (0.38) PDK2MEN1KMT2APOLBCDC25B
SCHEMBL20323369 0.77 PGR (0.44) POLBATMKDM4EMAOAHTT
SCHEMBL182096 0.74 PGR (0.51) MEN1KMT2APOLBCFTRGOPC
SCHEMBL29581434 0.74 PGR (0.51) MEN1KMT2APOLBCFTRGOPC
SCHEMBL23730282 0.73 CFTR (0.41) MEN1KMT2APOLBCDC25BCFTR
SCHEMBL14462993 0.71 S100A4 (0.42) PDK2MEN1KMT2APOLBCDC25B
SCHEMBL31671044 0.71 PGR (0.42) MEN1KMT2APOLBCFTRGOPC
SCHEMBL20465583 0.71 MEN1 (0.40) PDK2MEN1KMT2APOLBHRH3
SCHEMBL16133545 0.69 HRH3 (0.46) MEN1KMT2APOLBCDC25BHRH3
SCHEMBL25201447 0.69 CFTR (0.38) PDK2MEN1KMT2APOLBCDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 — — US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 — — US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 — — US disclosed
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE MCCORMICK KEVIN D 2011-07-07 — — 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 (4 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PDK2 2394/4885MEN1 2587/4885KMT2A 4542/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 PDK2 2394/4885MEN1 2587/4885KMT2A 4542/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 PDK2 2394/4885MEN1 2587/4885KMT2A 4542/4885
US-20110166124-A1 TRICYCLIC SPIROCYCLE DERIVATIVES AND METHODS OF USE GPR119, TRPV1, NR3C2 PDK2 286/4885MEN1 4306/4885KMT2A 4310/4885

“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.

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