SCHEMBL6348669

SCHEMBL6348669

C=CC(=O)OC(C)(C)C.C=CC(=O)OCCCC

nearest known ligand 0.76

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.76
HPGD P15428 1/20 0.76
ALDH1A1 P00352 5/20 0.55
CYP3A4 P08684 2/20 0.55
ATM Q13315 1/20 0.53
HCAR2 Q8TDS4 3/20 0.47
THRB P10828 2/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
APP P05067 1/20 0.36

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
SCHEMBL25279157 0.95 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL10905754 0.94 TSHR (0.67) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL30038460 0.93 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL20261906 0.93 TSHR (0.66) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL28195407 0.88 TSHR (0.73) TSHRHPGDALDH1A1CYP3A4ATM
Hexane SCHEMBL28069832 0.87 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1331857 0.87
SCHEMBL5681395 0.87 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL15037 0.87
SCHEMBL1330627 0.87

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
US-10875282-B2 Shape memory assisted self-healing polymers having load bearing structure SYRACUSE UNIVERSITY (US) 2020-12-29 US claimed
US-10368993-B2 Shape-memory-actuated materials for accelerated healing of orthopedic injuries SYRACUSE UNIVERSITY (US) 2019-08-06 US claimed
US-10181381-B2 Tunable shape memory capacitor and a method of preparation thereof KING ABDULAZIZ UNIVERSITY (SA) 2019-01-15 US claimed
US-20180053603-A1 TUNABLE SHAPE MEMORY CAPACITOR AND A METHOD OF PREPARATION THEREOF KING ABDULAZIZ UNIVERSITY (SA) 2018-02-22 US claimed
US-20170312082-A1 SHAPE-MEMORY-ACTUATED MATERIALS FOR ACCELERATED HEALING OF ORTHOPEDIC INJURIES SYRACUSE UNIVERSITY (US) 2017-11-02 US claimed
US-9744041-B2 Shape-memory-actuated materials for accelerated healing of orthopedic injuries SYRACUSE UNIVERSITY (US) 2017-08-29 US claimed
US-20160135955-A1 SHAPE-MEMORY-ACTUATED MATERIALS FOR ACCELERATED HEALING OF ORTHOPEDIC INJURIES SYRACUSE UNIVERSITY (US) 2016-05-19 US claimed
US-20150343749-A1 Shape Memory Assisted Self-Healing Polymers Having Load Bearing Structure SYRACUSE UNIVERSITY (US) 2015-12-03 US claimed
WO-2014205306-A1 SHAPE-MEMORY-ACTUATED MATERIALS FOR ACCELERATED HEALING OF ORTHOPEDIC INJURIES SYRACUSE UNIVERSITY (US) 2014-12-24 WO claimed
WO-2014113432-A1 SHAPE MEMORY ASSISTED SELF-HEALING POLYMERS HAVING LOAD BEARING STRUCTURE SYRACUSE UNIVERSITY (US) 2014-07-24 WO claimed
US-20050238594-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic or pharmaceutical compositions comprising them and cosmetic use of these copolymers L'OREAL S.A. (FR) 2005-10-27 US claimed
US-10181381-B2 Tunable shape memory capacitor and a method of preparation thereof KING ABDULAZIZ UNIVERSITY (SA) 2019-01-15 US disclosed
US-20180053603-A1 TUNABLE SHAPE MEMORY CAPACITOR AND A METHOD OF PREPARATION THEREOF KING ABDULAZIZ UNIVERSITY (SA) 2018-02-22 US disclosed
US-4900655-A CONTAINING SPECIFIC MAGENTA COUPLER AND HIGH BOILING SOLVENT FUJI PHOTO FILM CO., LTD. (JP) 1990-02-13 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 (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-20050238594-A1 Block ethylenic copolymers comprising a vinyllactam block, cosmetic or pharmaceutical compositions comprising them and cosmetic use of these copolymers KRT18, DSG1, VCL TSHR 3721/4885HPGD 518/4885ALDH1A1 2416/4885

“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.