SCHEMBL16407739

SCHEMBL16407739

CCOC(=O)C1(C(=O)C(C)C)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ OPRM1 P35372 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ OPRD1 P41143 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ KCNH2 Q12809 2/20 0.32
▸ SLC22A1 O15245 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 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
SCHEMBL9806689 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL254353 0.85 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL1152835 0.82 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL26997980 0.81 CYP2C19 (0.32) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL2321698 0.79 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL670857 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL10850510 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL9806691 0.79 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MEN1KMT2APOLB
SCHEMBL15113851 0.79 NPSR1 (0.42) ALDH1A1MEN1KMT2ALMNACYP1A2
SCHEMBL713102 0.78 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MEN1KMT2APOLB

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-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 — — US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 — — US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 — — 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885ALDH1A1 3966/4885MEN1 4834/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 SMN1; SMN2 4705/4885ALDH1A1 3966/4885MEN1 4834/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS SMN1; SMN2 4657/4885ALDH1A1 3872/4885MEN1 4813/4885

“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.

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