SCHEMBL16042116

SCHEMBL16042116

CC(C)(C)C(=O)N1CCOc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 3/20 0.41
▸ USP30 Q70CQ3 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ DGAT1 O75907 2/20 0.38
▸ IDO1 P14902 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ RARA P10276 1/20 0.38
▸ RARG P13631 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ GAA P10253 3/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ NR3C2 P08235 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ HPGD P15428 1/20 0.36
▸ NR4A1 P22736 1/20 0.36

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
SCHEMBL30336438 0.82 LMNA (0.46) NOTUMPOLBUSP30MAPTDGAT1
SCHEMBL29209099 0.82 LMNA (0.46) NOTUMPOLBUSP30MAPTDGAT1
SCHEMBL13524326 0.79 NOTUM (0.69) NOTUMPOLBMAPT
SCHEMBL2064097 0.79 PTGER3 (0.50) NOTUMALDH1A1MAPK1MAPTHSD17B10
SCHEMBL29650191 0.79 PTGER3 (0.50) NOTUMALDH1A1MAPK1MAPTHSD17B10
SCHEMBL22895349 0.78 CCNK (0.52) NOTUMALDH1A1MAPK1POLBDGAT1
SCHEMBL28626488 0.77 POLB (0.49) ALDH1A1POLBMAPTDGAT1IDO1
SCHEMBL29171384 0.76 ALDH1A1 (0.45) ALDH1A1MAPK1POLBMAPTDGAT1
SCHEMBL24890843 0.76 CYP2C9 (0.52) NOTUMALDH1A1POLBMAPTDGAT1
SCHEMBL4278028 0.75 PTGER3 (0.45) ALDH1A1MAPK1POLBKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 — — US disclosed
EP-2970200-A1 PYRIDINE CDK9 KINASE INHIBITORS Abbvie Inc. (US) 2016-01-20 — — EP disclosed
WO-2014160017-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-10-02 — — WO disclosed
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 — — 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 NOTUM 4006/4885ALDH1A1 3595/4885MAPK1 184/4885

“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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