SCHEMBL10127339

SCHEMBL10127339

CC(C)CC[C@@H](C)COCc1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
HPGD P15428 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP2 P08253 1/20 0.38
CA9 Q16790 1/20 0.38
TSHR P16473 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL12767782 0.86 HTT (0.50) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL12153280 0.85 HTT (0.46) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL10112095 0.85 HTT (0.46) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL12153202 0.83 HTT (0.53) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL10127440 0.82 TSHR (0.50) HTTKMT2ACA1CA2CA9
SCHEMBL8607141 0.77 SLC6A2 (0.57) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL10973793 0.77 HTT (0.57) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL18580919 0.77 SLC6A2 (0.57) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL19750794 0.76 HTT (0.38) HTTHPGDKMT2ASMN1; SMN2USP2
SCHEMBL14415409 0.76 PPARG (0.46) HTTHPGDKMT2ASMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9849107-B2 Compositions and methods for inhibiting cytochrome P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2017-12-26 US disclosed
US-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 SEQUOIA PHARMACEUTICALS, INC. (US) 2012-03-01 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 (1 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-20120053132-A1 COMPOSITIONS AND METHODS FOR INHIBITING CYTOCHROME P450 CYP3A43, CYP2E1, CYP7A1 HTT 3140/4885HPGD 140/4885KMT2A 3386/4885

“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.