SCHEMBL17306153

SCHEMBL17306153

COC(C)(C)c1ccc(C(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
TYR P14679 2/20 0.41
PTPN5 P54829 1/20 0.38
IDO1 P14902 2/20 0.38
PDE2A O00408 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ERN1 O75460 2/20 0.33
NPC1 O15118 1/20 0.33
MGLL Q99685 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL11210123 0.84 MAPK1 (0.52) CYP2D6CYP2C9HIF1ATYRPTPN5
SCHEMBL24777081 0.83 PDE2A (0.33) PDE2AMAPK1ALDH1A1ALOX15
SCHEMBL43313 0.83 MAPK1 (0.46) TYRMAPK1ALDH1A1RAB9AHPGD
SCHEMBL6680120 0.80 MAPK1 (0.33) PDE2AMAPK1ALDH1A1ALOX15
SCHEMBL374893 0.80 ALDH1A1 (0.56) CYP2D6CYP2C9HIF1ATYRPTPN5
SCHEMBL10435261 0.80 CYP2C9 (0.47) CYP2D6CYP2C9HIF1ATYRPTPN5
SCHEMBL15179666 0.79 ALDH1A1 (0.41) CYP2C9ALDH1A1HPGDALOX15
SCHEMBL9356443 0.78 MAPK1 (0.46) CYP2D6CYP2C9HIF1ATYRPTPN5
SCHEMBL31572115 0.78 TP53 (0.36) CYP2D6CYP2C9HIF1ATYRPDE2A
SCHEMBL10271927 0.77 CAMK1D (0.32)

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
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-11-09 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS UNIV MICHIGAN REGENTS (US) 2020-05-21 US disclosed
US-10626207-B1 High-strength low-creep thermoplastic elastomer THE UNIVERSITY OF AKRON (US) 2020-04-21 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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 (6 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS CYP2D6 4808/4885CYP2C9 4872/4885HIF1A 2431/4885
US-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP2D6 4785/4885CYP2C9 4867/4885HIF1A 2203/4885
US-20200157091-A1 PYRROLO[2,3-C]PYRIDINES AND RELATED ANALOGS AS LSD-1 INHIBITORS KDM1A, KDM1B, KDM2A CYP2D6 1343/4885CYP2C9 3276/4885HIF1A 942/4885
US-11168082-B2 Pyrrolo[2,3-C]pyridines and related analogs as LSD-1 inhibitors KDM1A, KDM1B, KDM2A CYP2D6 1343/4885CYP2C9 3276/4885HIF1A 942/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS CYP2D6 4785/4885CYP2C9 4867/4885HIF1A 2203/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS CYP2D6 4785/4885CYP2C9 4867/4885HIF1A 2203/4885

“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.