SCHEMBL20173650

SCHEMBL20173650

CC(C)(C)c1cc(C(=O)N2CCC2)cc(C(C)(C)C)c1O

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSP90AA1 P07900 4/20 0.54
HSP90AB1 P08238 4/20 0.54
HPGD P15428 4/20 0.50
SERPINE1 P05121 1/20 0.50
KCNH2 Q12809 1/20 0.48
KDM4E B2RXH2 2/20 0.47
LMNA P02545 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 2/20 0.46
ALOX12 P18054 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL20173647 0.97 HPGD (0.54) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL20173649 0.95 HPGD (0.57) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL20164980 0.88 HPGD (0.59) ALDH1A1MEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL9816479 0.87 HPGD (0.52) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL11613230 0.85 HSP90AA1 (0.72) MEN1KMT2ASMN1; SMN2HSP90AA1HSP90AB1
SCHEMBL6780219 0.85 HPGD (0.57) MEN1KMT2AHSP90AA1HSP90AB1HPGD
SCHEMBL4598135 0.80 HSP90AA1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HSP90AA1
SCHEMBL20164970 0.80 GLRA1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2HSP90AA1
SCHEMBL9816505 0.79 MEN1 (0.47) MEN1KMT2AHTTSMN1; SMN2HSP90AA1
SCHEMBL4597513 0.79 HSP90AA1 (0.43) ALDH1A1MEN1KMT2AHTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10449198-B2 Method for treating pain THE UNIVERSITY OF LIVERPOOL (GB) 2019-10-22 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 US disclosed
US-20180140608-A1 METHOD UNIV LIVERPOOL (GB) 2018-05-24 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-10449198-B2 Method for treating pain ACHE, ASAH2, OPRL1 ALDH1A1 682/4885MEN1 3250/4885KMT2A 2421/4885
US-20180140608-A1 METHOD ASAH2, ACHE, OPRL1 ALDH1A1 698/4885MEN1 2061/4885KMT2A 2335/4885

“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.