SCHEMBL878159

SCHEMBL878159

CC1(C)OCC(CCOCc2ccccc2)O1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
PDE4D Q08499 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CA2 P00918 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GYPA P02724 1/20 0.35
LTA4H P09960 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
SCHEMBL4191243 1.00 TMEM97 (0.46) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL11319730 0.92 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL11319725 0.92 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL3508958 0.87 TMEM97 (0.45) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL25305166 0.86 TMEM97 (0.44) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL28302408 0.86 MEN1 (0.43) TMEM97SIGMAR1MEN1KMT2A
SCHEMBL24207804 0.86 TMEM97 (0.44) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL25303747 0.86 TMEM97 (0.44) TMEM97SIGMAR1MEN1KMT2ATSHR
SCHEMBL5606199 0.85 TMEM97 (0.48) TMEM97SIGMAR1TSHRTAAR1ALDH1A1
SCHEMBL2182755 0.85 TMEM97 (0.48) TMEM97SIGMAR1TSHRTAAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2619179-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038944-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed
EP-1061062-B1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVES DAISO CO LTD (JP) 2009-02-18 EP disclosed
US-20040024261-A1 Process for preparing butanetriol derivative DAISO CO., LTD. (JP) 2004-02-05 US disclosed
US-6620977-B1 Reacting 1,2,4-butanetriol in multiple steps with specified reagents using selective protection and deprotection of hydroxyl groups DAISO CO., LTD. (JP) 2003-09-16 US disclosed
EP-1061062-A1 PROCESS FOR PRODUCING BUTANETRIOL DERIVATIVE DAISO CO., LTD. (JP) 2000-12-20 EP 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-20040024261-A1 Process for preparing butanetriol derivative CYP4B1, CYP11B2, CYP11B1 TMEM97 2523/4885SIGMAR1 1760/4885MEN1 358/4885

“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.