SCHEMBL10073854

SCHEMBL10073854

CC(C)(C)c1c(NC(=O)[C@@H]2CCCO2)cccc1NC(=O)[C@@H]1CCCO1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 3/20 0.57
HPGD P15428 2/20 0.57
MAPK10 P53779 1/20 0.57
HTT P42858 3/20 0.56
POLB P06746 1/20 0.56
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPK1 P28482 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL3438877 0.93 HSD17B10 (0.56) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL15120766 0.84 HSD17B10 (0.68) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL10084268 0.81 HSD17B10 (0.64) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL15119804 0.78 CETP (0.56) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL17896349 0.77 HPGD (0.60) HSD17B10SMN1; SMN2ALDH1A1HPGDPOLB
SCHEMBL4603679 0.76 SMN1; SMN2 (0.74) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL31058408 0.74 MAPK1 (0.63) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL15587329 0.72 HPGD (0.64) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL2678590 0.72 HSD17B10 (0.56) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL31195837 0.72 HSD17B10 (0.56) HSD17B10KDM4ESMN1; SMN2ALDH1A1HPGD

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-20130184456-A1 HETEROCYCLIC MACROCYCLE TEMPLATED METAL-ORGANIC MATERIALS UNIVERSITY OF SOUTH FLORIDA (US) 2013-07-18 US disclosed
US-20130023403-A1 METAL ORGANIC MATERIALS AS BIOMIMETIC ENZYMES UNIVERSITY OF SOUTH FLORIDA (US) 2013-01-24 US disclosed
US-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 US disclosed
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES NATIONAL SCIENCE FOUNDATION 2011-08-25 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA HSD17B10 669/4885KDM4E 3545/4885SMN1; SMN2 3724/4885
US-20110207956-A1 INTRAMOLECULAR C-H AMINATION WITH PHOSPHORYL AZIDES CYCS, CCNH, CBR3 HSD17B10 3091/4885KDM4E 3248/4885SMN1; SMN2 3875/4885
US-20130184456-A1 HETEROCYCLIC MACROCYCLE TEMPLATED METAL-ORGANIC MATERIALS ORC3, MCM4, MCM7 HSD17B10 3912/4885KDM4E 3100/4885SMN1; SMN2 3454/4885

“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.