SCHEMBL17813866

SCHEMBL17813866

COc1nnc(C)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
GFER P55789 1/20 0.35
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17813819 0.80 ALDH1A1 (0.34) ALDH1A1CYP1A2CYP2C19POLBGAA
SCHEMBL18699197 0.79 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2C19POLBGAA
SCHEMBL26739862 0.78 CA1 (0.35) ALDH1A1CYP1A2CYP2C19POLBGAA
SCHEMBL17808315 0.75 ALDH1A1 (0.32) ALDH1A1CYP1A2CYP2C19
SCHEMBL17813820 0.73 MEN1 (0.35) ALDH1A1
SCHEMBL12896014 0.73 LMNA (0.32) LMNA
SCHEMBL12157652 0.73 CYP1A2 (0.41) ALDH1A1CYP1A2CYP2C19POLBGAA
SCHEMBL27102711 0.72 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP2C19
SCHEMBL24950489 0.71 KDM4E (0.31) ALDH1A1POLBLMNA
SCHEMBL24226816 0.71 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2C19LMNATSHR

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
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
US-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof DECIPHERA PHARMACEUTICALS, LLC (US) 2024-02-27 US disclosed
WO-2023086800-A1 HETEROCYCLIC COMPOUNDS AS TRIGGERING RECEPTOR EXPRESSED ON MYELOID CELLS 2 AGONISTS AND METHODS OF USE VIGIL NEUROSCIENCE, INC. (US) 2023-05-19 WO disclosed
US-9611248-B2 Chemical compounds SYNGENTA LIMITED (GB) 2017-04-04 US disclosed
US-20160159767-A1 CHEMICAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-09 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-11912668-B2 GCN2 and perk kinase inhibitors and methods of use thereof EIF2AK4, GCN1, MAPKAPK2 ALDH1A1 4542/4885CYP1A2 2970/4885CYP2C19 3311/4885
US-20160159767-A1 CHEMICAL COMPOUNDS DDT, CBR3, CYP1B1 ALDH1A1 300/4885CYP1A2 22/4885CYP2C19 517/4885

“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.