SCHEMBL804264

SCHEMBL804264

CCOC(=O)[C@H](O)[C@@H](O)C(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
SOAT1 P35610 1/20 0.40
HTT P42858 1/20 0.39
TRPA1 O75762 1/20 0.37
GLO1 Q04760 1/20 0.37
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TSHR P16473 1/20 0.34
PIN1 Q13526 1/20 0.34
HPGD P15428 1/20 0.34
METAP2 P50579 2/20 0.34
METAP1 P53582 2/20 0.34

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
SCHEMBL12540148 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL18213891 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112149 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL28012631 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL112148 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14763884 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL8645598 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL805601 0.89 ALDH1A1 (0.53) ALDH1A1LMNAHSD17B10ALOX15MGAM
Butanedione SCHEMBL11712344 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
Acetic Acid SCHEMBL28254246 0.87 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160067344-A1 COMPOUNDS AND MEDICAL DEVICES ACTIVATED WITH SOLVOPHOBIC LINKERS SOFRADIM PRODUCTION (FR) 2016-03-10 US disclosed
US-9216226-B2 Compounds and medical devices activated with solvophobic linkers SOFRADIM PRODUCTION (FR) 2015-12-22 US disclosed
US-20150147395-A1 COMPOUNDS AND MEDICAL DEVICES ACTIVATED WITH SOLVOPHOBIC LINKERS SOFRADIM PRODUCTION (FR) 2015-05-28 US disclosed
US-8969473-B2 Compounds and medical devices activated with solvophobic linkers SOFRADIM PRODUCTION (FR) 2015-03-03 US disclosed
US-20150050417-A1 MEDICAL DEVICE WITH INFLAMMATORY RESPONSE-REDUCING COATING SOFRADIM PRODUCTION (FR) 2015-02-19 US disclosed
US-8956603-B2 Amphiphilic compounds and self-assembling compositions made therefrom SOFRADIM PRODUCTION (FR) 2015-02-17 US disclosed
US-8829071-B2 Medical device with degradation-retarding coating SOFRADIM PRODUCTION (FR) 2014-09-09 US disclosed
US-20140142052-A1 PHOSPHORYLATED POLYOLS, PYROPHOSPHATES, AND DERIVATIVES THEREOF HAVING BIOLOGICAL ACTIVITY NORMOXYS, INC. (US) 2014-05-22 US disclosed
US-20120071974-A1 MEDICAL DEVICE WITH DEGRADATION-RETARDING COATING SOFRADIM PRODUCTION (FR) 2012-03-22 US disclosed
US-20120052042-A1 AMPHIPHILIC COMPOUNDS AND SELF-ASSEMBLING COMPOSITIONS MADE THEREFROM SOFRADIM PRODUCTION (FR) 2012-03-01 US disclosed
US-20120035321-A1 COMPOUNDS AND MEDICAL DEVICES ACTIVATED WITH SOLVOPHOBIC LINKERS SOFRADIM PRODUCTION (FR) 2012-02-09 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 (5 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-20160067344-A1 COMPOUNDS AND MEDICAL DEVICES ACTIVATED WITH SOLVOPHOBIC LINKERS MLEC, ILK, MSN ALDH1A1 2581/4885LMNA 1689/4885HSD17B10 3129/4885
US-20150147395-A1 COMPOUNDS AND MEDICAL DEVICES ACTIVATED WITH SOLVOPHOBIC LINKERS MLEC, ILK, MSN ALDH1A1 2581/4885LMNA 1689/4885HSD17B10 3129/4885
US-20120035321-A1 COMPOUNDS AND MEDICAL DEVICES ACTIVATED WITH SOLVOPHOBIC LINKERS MLEC, ILK, MSN ALDH1A1 2581/4885LMNA 1689/4885HSD17B10 3129/4885
US-20140142052-A1 PHOSPHORYLATED POLYOLS, PYROPHOSPHATES, AND DERIVATIVES THEREOF HAVING BIOLOGICAL ACTIVITY PPIP5K2, PHOSPHO1, PIK3CA ALDH1A1 4833/4885LMNA 2358/4885HSD17B10 3917/4885
US-20120052042-A1 AMPHIPHILIC COMPOUNDS AND SELF-ASSEMBLING COMPOSITIONS MADE THEREFROM PICALM, ANXA6, SGMS1 ALDH1A1 4625/4885LMNA 419/4885HSD17B10 2204/4885

“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.