SCHEMBL827872

SCHEMBL827872

CC(O)CC(O)CC(O)CO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 3/20 0.37
THRB P10828 1/20 0.36
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL15089438 1.00 TDP1 (0.50) TDP1LMNAALDH1A1TSHRTHRB
SCHEMBL16556824 1.00 TDP1 (0.50) TDP1LMNAALDH1A1TSHRTHRB
SCHEMBL283526 0.94
SCHEMBL19450283 0.87 TSHR (0.44) TDP1LMNAALDH1A1TSHR
SCHEMBL19449972 0.87 TSHR (0.44) TDP1LMNAALDH1A1TSHR
SCHEMBL19450212 0.87 TSHR (0.44) TDP1LMNAALDH1A1TSHR
SCHEMBL12915076 0.87 TSHR (0.44) TDP1LMNAALDH1A1TSHR
SCHEMBL14969788 0.87 TSHR (0.44) TDP1LMNAALDH1A1TSHR
SCHEMBL12560763 0.87 TSHR (0.44) TDP1LMNAALDH1A1TSHR
SCHEMBL1535121 0.84 TSHR (0.47) TDP1LMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10218736-A None JP disclosed
US-8558038-B2 Epoxidation of glycerol and derivatives therefrom AEL MINING SERVICES LIMITED (ZA) 2013-10-15 US disclosed
US-8558038-B2 Epoxidation of glycerol and derivatives therefrom AEL MINING SERVICES LIMITED (ZA) 2013-10-15 US disclosed
US-20130090497-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2013-04-11 US disclosed
US-20130090497-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2013-04-11 US disclosed
WO-2012003519-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM AEL MINING SERVICES LIMITED (ZA) 2012-01-05 WO disclosed
US-20080102121-A1 COMPOSITIONS COMPRISING NANOPARTICULATE MELOXICAM AND CONTROLLED RELEASE HYDROCODONE ELAN PHARMA INTERNATIONAL LIMITED (IE) 2008-05-01 US disclosed
EP-1562954-B1 CCR1 ANTAGONISTS FOR THE TREATMENT OF I.A. DEMYELINATING INFLAMMATORY DISEASE MILLENNIUM PHARM INC (US) 2006-05-03 EP disclosed
US-20040137019-A1 Cosmetic w/o/w emulsion preparation SHISEIDO COMPANY, LTD. (JP) 2004-07-15 US disclosed
EP-1369101-A1 COSMETIC W/O/W EMULSION PREPARATION SHISEIDO COMPANY LIMITED (JP) 2003-12-10 EP disclosed
JP-H10218736-A HAIR GROWER TAISHO PHARMACEUT CO LTD 1998-08-18 JP disclosed
US-5571812-A TREATMENT OF INFECTIONS OF GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA BAYER AKTIENGESELLSCHAFT (DE) 1996-11-05 US disclosed
US-4913900-A AQUEOUS SOLUTION OF THIOGLYCOLATE AND DITHIODIGLYCOLATE SALTS, POLYHYDRIC MOISTURIZER, ALKALI; SUITABLE FOR DAMAGED HAIR HELENE CURTIS, INC. (US) 1990-04-03 US disclosed
EP-0344653-A2 Conditioning perm wave composition and method Helene Curtis Industries, Inc. (US) 1989-12-06 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 (2 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-20080102121-A1 COMPOSITIONS COMPRISING NANOPARTICULATE MELOXICAM AND CONTROLLED RELEASE HYDROCODONE OPRM1, MCHR1, CYP3A43 TDP1 2282/4885LMNA 3414/4885ALDH1A1 298/4885
US-20130090497-A1 EPOXIDATION OF GLYCEROL AND DERIVATIVES THEREFROM GK, UGCG, GYPA TDP1 3434/4885LMNA 2360/4885ALDH1A1 450/4885

“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.