SCHEMBL10170705

SCHEMBL10170705

CCC1CCCCC1OC(=O)CCOC(=O)C(C)(C)CC

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.39
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
NAAA Q02083 2/20 0.33
FKBP1A P62942 4/20 0.32
SLC18A3 Q16572 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
SCHEMBL15681469 0.88 HMGCR (0.41) HMGCRMEN1ALDH1A1KMT2AAPOBEC3A
SCHEMBL10187705 0.85 HMGCR (0.40) HMGCRMEN1ALDH1A1KMT2AAPOBEC3A
SCHEMBL15889341 0.85 HMGCR (0.39) HMGCRMEN1ALDH1A1KMT2AAPOBEC3A
SCHEMBL17088137 0.83 HMGCR (0.40) HMGCRMEN1ALDH1A1KMT2AAPOBEC3A
SCHEMBL14997741 0.82 HMGCR (0.39) HMGCRMEN1ALDH1A1KMT2AAPOBEC3A
SCHEMBL9945786 0.80 HMGCR (0.37) HMGCRMEN1ALDH1A1KMT2AAPOBEC3A
SCHEMBL25701430 0.75 CYP19A1 (0.41) ALDH1A1
SCHEMBL12263816 0.74 HMGCR (0.35) HMGCRMEN1ALDH1A1KMT2ANAAA
SCHEMBL14191887 0.74 ALDH1A1 (0.36) HMGCRALDH1A1NAAAFKBP1A
SCHEMBL15113827 0.73 HMGCR (0.30) HMGCR

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-8124313-B2 Resist composition, method of forming resist pattern, novel compound, and acid generator TOKYO OHKA KOGYO CO., LTD. (JP) 2012-02-28 US disclosed
US-20100121077-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR TOKYO OHKA KOGYO CO., LTD. (JP) 2010-05-13 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-20100121077-A1 RESIST COMPOSITION, METHOD OF FORMING RESIST PATTERN, NOVEL COMPOUND, AND ACID GENERATOR RER1, ABCC1, SLC11A2 HMGCR 3565/4885MEN1 41/4885ALDH1A1 621/4885

“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.