SCHEMBL12377230

SCHEMBL12377230

COCCOC(=O)CCC(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
BLM P54132 1/20 0.46
LMNA P02545 3/20 0.45
DGKA P23743 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HTT P42858 1/20 0.43
CA12 O43570 1/20 0.40
CA14 Q9ULX7 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL813361 0.93 ADRA2A (0.54) TSHRADRA2AADRA1AKMT2AMAPT
SCHEMBL25492396 0.93 TSHR (0.72) TSHRADRA2AADRA1AKMT2AMAPT
SCHEMBL14500172 0.86 TSHR (0.56) TSHRADRA2AADRA1AKMT2AMAPT
SCHEMBL22510580 0.86 ADRA2A (0.48) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL13268865 0.86 ADRA2A (0.48) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL2302053 0.86 ADRA2A (0.48) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL407967 0.84 ALDH1A1 (0.50) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL756978 0.84 ADRA2A (0.46) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL813905 0.83 DGKA (0.58) TSHRADRA2AADRA1AMAPTBLM
SCHEMBL1033327 0.83 DGKA (0.64) TSHRADRA2AADRA1AMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230280500-A1 PHOTOCHROMIC COMPOUND, PHOTOCHROMIC CURABLE COMPOSITION, CURED BODY, LENS AND EYEGLASSES TOKUYAMA CORPORATION (JP) 2023-09-07 US disclosed
US-20230242808-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING THE PHOTOCHROMIC COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
US-20230242809-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND TOKUYAMA CORPORATION (JP) 2023-08-03 US disclosed
US-20230133211-A1 PHOTOCHROMIC CYCLIC COMPOUND AND CURABLE COMPOSITION CONTAINING THE PHOTOCHROMIC CYCLIC COMPOUND TOKUYAMA CORPORATION (JP) 2023-05-04 US disclosed
EP-4047030-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND Tokuyama Corporation (JP) 2022-08-24 EP disclosed
US-9954251-B2 Electrolyte formulations for electrochemical cells containing a silicon electrode WILDCAT DISCOVERY TECHNOLOGIES, INC (US) 2018-04-24 US disclosed
US-20160240889-A1 Electrolyte Formulations For Electrochemical Cells Containing A Silicon Electrode HSBC VENTURES USA INC. 2016-08-18 US disclosed
US-20110190455-A1 POLYDIALKYLSILOXANE-BRIDGED BI-PHOTOCHROMIC MOLECULES Vivimed Labs Europe Ltd. (GB) 2011-08-04 US disclosed
US-20080206182-A1 Conjugates of a Polymer and a Protein Linked by an Oxime Group FRESENIUS KABI DEUTSCHLAND GMBH (DE) 2008-08-28 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 (4 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-20080206182-A1 Conjugates of a Polymer and a Protein Linked by an Oxime Group LPO, DAO, DNPEP TSHR 2741/4885ADRA2A 4419/4885ADRA1A 4233/4885
US-20230242808-A1 PHOTOCHROMIC COMPOUND AND CURABLE COMPOSITION CONTAINING THE PHOTOCHROMIC COMPOUND RB1, CRY2, CDK16 TSHR 3842/4885ADRA2A 4778/4885ADRA1A 4852/4885
US-20110190455-A1 POLYDIALKYLSILOXANE-BRIDGED BI-PHOTOCHROMIC MOLECULES UACA, DCLRE1A, RAD54L TSHR 3623/4885ADRA2A 4164/4885ADRA1A 4551/4885
US-20230133211-A1 PHOTOCHROMIC CYCLIC COMPOUND AND CURABLE COMPOSITION CONTAINING THE PHOTOCHROMIC CYCLIC COMPOUND CRY1, CCNL2, CCNT1 TSHR 4134/4885ADRA2A 4840/4885ADRA1A 4789/4885

“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.