SCHEMBL2597017

SCHEMBL2597017

COC(=O)CCCCCCCCCCCCCCCS

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.64
LMNA P02545 2/20 0.55
ALDH1A1 P00352 1/20 0.55
HSD17B10 Q99714 1/20 0.50
FOLH1 Q04609 1/20 0.48
KMT2A Q03164 2/20 0.46
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
EPHX2 P34913 3/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
POLA1 P09884 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL18966483 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL4283433 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL11525673 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL8429080 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL5829754 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL8726527 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL8987158 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL4113305 1.00 TSHR (0.64) TSHRLMNAALDH1A1HSD17B10FOLH1
SCHEMBL2855754 0.98
SCHEMBL305297 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10010629-B2 Compositions and methods for in vivo imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-03 US disclosed
US-10010629-B2 Compositions and methods for in vivo imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-07-03 US disclosed
US-20180073017-A1 METHODS FOR SELECTING ENZYMES HAVING ENHANCED ACTIVITY NOVOZYMES A/S (DK) 2018-03-15 US disclosed
US-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
US-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-12-03 US disclosed
US-8231969-B2 Asymmetrically functionalized nanoparticles UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-07-31 US disclosed
WO-2011146390-A2 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-11-24 WO disclosed
US-20090256116-A1 Asymmetrically Functionalized NanoParticles UNIVERSITY OF UTAH 2009-10-15 US disclosed
EP-0589867-B1 SENSING SURFACES CAPABLE OF SELECTIVE BIOMOLECULAR INTERACTIONS, TO BE USED IN BIOSENSOR SYSTEMS PHARMACIA BIOSENSOR AB (SE) 1996-04-10 EP disclosed
US-5436161-A Matrix coating for sensing surfaces capable of selective biomolecular interactions, to be used in biosensor systems PHARMACIA BIOSENSOR AB (SE) 1995-07-25 US disclosed
EP-0589867-A1 SENSING SURFACES CAPABLE OF SELECTIVE BIOMOLECULAR INTERACTIONS, TO BE USED IN BIOSENSOR SYSTEMS. PHARMACIA BIOSENSOR AB (SE) 1994-04-06 EP disclosed
US-5242828-A SENSING SURFACES CAPABLE OF SELECTIVE BIOMOLECULAR INTERACTIONS, TO BE USED IN BIOSENSOR SYSTEMS PHARMACIA BIOSENSOR AB (SE) 1993-09-07 US disclosed
WO-1990005303-A1 SENSING SURFACES CAPABLE OF SELECTIVE BIOMOLECULAR INTERACTIONS, TO BE USED IN BIOSENSOR SYSTEMS PHARMACIA AB (SE) 1990-05-17 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 (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-20150343094-A1 COMPOSITIONS AND METHODS FOR IN VIVO IMAGING PLIN3, SGMS1, SGMS2 TSHR 3625/4885LMNA 682/4885ALDH1A1 3206/4885
US-10010629-B2 Compositions and methods for in vivo imaging PLIN3, SGMS1, SGMS2 TSHR 3625/4885LMNA 682/4885ALDH1A1 3206/4885

“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.