SCHEMBL18449644

SCHEMBL18449644

CC(C)(C)OC(=O)OC1C=CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.33
GAA P10253 1/20 0.31
EPHX1 P07099 2/20 0.31
CYP19A1 P11511 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE4B Q07343 1/20 0.30

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
SCHEMBL17190382 0.98 GAA (0.33) ATMGAAEPHX1CYP19A1NPC1
SCHEMBL17079962 0.95 NFKB1 (0.30)
SCHEMBL29919514 0.95 NFKB1 (0.30)
SCHEMBL7102620 0.88 MAPT (0.32)
SCHEMBL17190371 0.82 GAA (0.32) GAAEPHX1
SCHEMBL3677465 0.81 MAPT (0.35) EPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL17190445 0.81 CHRM2 (0.33)
SCHEMBL17301551 0.81
SCHEMBL17190358 0.81 EPHX1 (0.33) GAAEPHX1
SCHEMBL17190443 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2019-10-22 US disclosed
EP-3331867-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS Icahn School of Medicine at Mount Sinai (US) 2018-06-13 EP disclosed
WO-2017024229-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) 2017-02-09 WO disclosed
WO-2017024229-A1 STEREOSPECIFIC PROCESS FOR 3-HETEROCYCLYLCYCLOALIPHATIC-1,2-DIOLS ICAHN SCHOOL OF MEDECINE AT MOUNT SINAI (US) 2017-02-09 WO 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-10450282-B2 Stereospecific process for 3-heterocyclylcycloaliphatic-1,2-diols DDT, ODC1, CBR1 ATM 4670/4885GAA 3750/4885EPHX1 1281/4885

“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.