SCHEMBL2506531

SCHEMBL2506531

CC(C)CNC(=O)C1CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
EPHX1 P07099 2/20 0.42
MMP1 P03956 2/20 0.41
MMP8 P22894 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
POLB P06746 1/20 0.35
EPHX2 P34913 1/20 0.35

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
SCHEMBL5345377 0.82 FAAH (0.33) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL4967939 0.76 SSTR4 (0.48) ALDH1A1SMN1; SMN2
SCHEMBL17165003 0.76
SCHEMBL12425624 0.74 CYP2D6 (0.50) CYP2D6CYP2C19ALDH1A1EPHX1MMP1
SCHEMBL6925234 0.73
SCHEMBL2502811 0.72 TSHR (0.46) ALDH1A1SMN1; SMN2KDM4ETP53HTT
SCHEMBL16408013 0.72 ALDH1A1 (0.46) CYP2D6CYP2C19ALDH1A1NPC1HPGD
SCHEMBL9639095 0.71
SCHEMBL2504415 0.71
SCHEMBL9639090 0.71

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-11208388-B2 Certain chemical entities, compositions, and methods NEUPHARMA, INC (US) 2021-12-28 US disclosed
US-20190322958-A1 Lubricant Composition BASF SE (DE) 2019-10-24 US disclosed
EP-2553059-B1 LUBRICATING OIL COMPOSITIONS CONTAINING EPOXIDE ANTIWEAR AGENTS CHEVRON ORONITE CO (US) 2019-10-23 EP disclosed
US-10066186-B2 Lubricating oil compositions containing a halide seal compatibility additive and a second seal compatibility additive BASF SE (DE) 2018-09-04 US disclosed
WO-2018089416-A1 LUBRICANT COMPOSITION BASF SE (DE) 2018-05-17 WO disclosed
US-9677023-B2 Lubricating oil compositions containing seal compatibility additives and sterically hindered amines BASF SE (DE) 2017-06-13 US disclosed
EP-3129454-A1 LUBRICATING OIL COMPOSITIONS CONTAINING SEAL COMPATIBILITY ADDITIVES AND STERICALLY HINDERED AMINES BASF SE (DE) 2017-02-15 EP disclosed
US-20170029737-A1 LUBRICANT COMPOSITIONS COMPRISING EPOXIDE COMPOUNDS BASF SE (DE) 2017-02-02 US disclosed
US-20140142011-A1 Lubricant Compositions Comprising Epoxide Compounds BASF SE 2014-05-22 US disclosed
US-20140142010-A1 Lubricant Compositions Comprising Epoxide Compounds BASF SE 2014-05-22 US disclosed
WO-2014078712-A1 LUBRICANT COMPOSITIONS COMPRISING EPOXIDE COMPOUNDS TO IMPROVE FLUOROPOLYMER SEAL COMPATIBILITY BASF SE (DE) 2014-05-22 WO disclosed
US-20140142009-A1 Lubricant Compositions Comprising Epoxide Compounds BASF SE 2014-05-22 US disclosed
US-20140038869-A1 LUBRICATING OIL COMPOSITIONS CONTAINING EPOXIDE ANTIWEAR AGENTS CHEVRON ORONITE COMPANY LLC (US) 2014-02-06 US disclosed
US-20130281333-A1 LUBRICATING OIL COMPOSITIONS CONTAINING EPOXIDE ANTIWEAR AGENTS CHEVRON ORONITE COMPANY LLC (US) 2013-10-24 US disclosed
US-8486873-B2 Lubricating oil compositions containing epoxide antiwear agents CHEVRON ORONITE COMPANY LLC (US) 2013-07-16 US disclosed
EP-2553059-A2 LUBRICATING OIL COMPOSITIONS CONTAINING EPOXIDE ANTIWEAR AGENTS Chevron Oronite Company LLC (US) 2013-02-06 EP disclosed
WO-2011126636-A2 LUBRICATING OIL COMPOSITIONS CONTAINING EPOXIDE ANTIWEAR AGENTS CHEVRON ORONITE COMPANY LLC (US) 2011-10-13 WO disclosed
US-20110239969-A1 LUBRICATING OIL COMPOSITIONS CONTAINING EPOXIDE ANTIWEAR AGENTS CHEVRON ORONITE COMPANY LLC 2011-10-06 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 (3 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-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS CYP2D6 4817/4885CYP2C19 4848/4885ALDH1A1 2792/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS CYP2D6 4817/4885CYP2C19 4848/4885ALDH1A1 2792/4885
US-11208388-B2 Certain chemical entities, compositions, and methods BRAF, PIK3CA, PLK1 CYP2D6 1933/4885CYP2C19 1047/4885ALDH1A1 1767/4885

“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.