SCHEMBL9944597

SCHEMBL9944597

Cc1cocc(C(C)(C)C)c1=O

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21241061 0.80 CYP1A2 (0.34) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL1106716 0.77
SCHEMBL14350774 0.76 ALDH1A1 (0.41) CYP1A2CYP2C9
SCHEMBL50976 0.74 ALDH1A1 (0.38) CYP1A2CYP2C9
SCHEMBL26340785 0.69 ALOX15 (0.48) GABRA1GABRB2CYP1A2CYP2C9CYP2C19
SCHEMBL173206 0.67
SCHEMBL10110590 0.65 HSPA5 (0.34) GABRA1GABRB2
SCHEMBL31464904 0.65 NQO1 (0.34)
SCHEMBL426079 0.64
SCHEMBL9944594 0.64 KDM4E (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-9777024-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2017-10-03 US disclosed
US-9670150-B2 (2-ureidoacetamido)alkyl derivatives as formyl peptide receptor 2 modulators ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-20160333043-A1 E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose GLYCOMIMETICS, INC. (US) 2016-11-17 US disclosed
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2016-05-19 US disclosed
US-9221843-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2015-12-29 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
US-20130274230-A1 (2-UREIDOACETAMIDO)ALKYL DERIVATIVES AS FORMYL PEPTIDE RECEPTOR 2 MODULATORS ALLERGAN, INC. (US) 2013-10-17 US disclosed
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV GLAXOSMITHKLINE LLC (US) 2013-01-17 US disclosed
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2012-06-14 US disclosed
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives IRONWOOD PHARMACEUTICALS, INC (US) 2011-11-10 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 (9 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-20130274230-A1 (2-UREIDOACETAMIDO)ALKYL DERIVATIVES AS FORMYL PEPTIDE RECEPTOR 2 MODULATORS FPR2, FPR3, FPR1 GABRA1 553/4885GABRB2 350/4885CYP1A2 3093/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GABRA1 2654/4885GABRB2 2115/4885CYP1A2 735/4885
US-20160333043-A1 E-Selectin Antagonists Modified By Macrocycle Formation to the Galactose SELE, SELPLG, SELL GABRA1 2606/4885GABRB2 2989/4885CYP1A2 2272/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GABRA1 3234/4885GABRB2 2863/4885CYP1A2 848/4885
US-20110275683-A1 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI GABRA1 1035/4885GABRB2 682/4885CYP1A2 437/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C GABRA1 3234/4885GABRB2 2863/4885CYP1A2 848/4885
US-20130018049-A1 Azaindole Compounds and Methods for Treating HIV AZI2, TPMT, INMT GABRA1 1781/4885GABRB2 2360/4885CYP1A2 720/4885
US-20160137672-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C GABRA1 2654/4885GABRB2 2115/4885CYP1A2 735/4885
US-20120149743-A9 Selenophene and Selenazole Carboxylic Acid Derivatives DAO, DDO, SELENOI GABRA1 1035/4885GABRB2 682/4885CYP1A2 437/4885

“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.