SCHEMBL15628682

SCHEMBL15628682

CCC(CO)OC(CO)CO

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CNR1 P21554 1/20 0.32
ADRA1A P35348 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ABCC3 O15438 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL325804 0.97 TSHR (0.40) TSHRMAPTMAPK1LMNATDP1
SCHEMBL13877207 0.94 TSHR (0.38) TSHRMAPTMAPK1LMNATDP1
SCHEMBL8529610 0.94 TSHR (0.38) TSHRMAPTMAPK1LMNATDP1
SCHEMBL10486462 0.84 TSHR (0.32) TSHR
SCHEMBL27532678 0.84 TSHR (0.40) TSHRMAPTMAPK1LMNAALDH1A1
SCHEMBL1076490 0.83 TSHR (0.33) TSHRLMNATDP1ALDH1A1
SCHEMBL24094055 0.82
SCHEMBL224194 0.82
SCHEMBL10100320 0.82
SCHEMBL15277676 0.82 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331140-B1 MULTI-ARM POLYMERIC ALKANOATE CONJUGATES NEKTAR THERAPEUTICS (US) 2018-07-04 EP disclosed
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES LIBRAGEN (FR) 2014-03-27 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-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES UGGT1, TYR, G6PD TSHR 4505/4885MAPT 1000/4885MAPK1 484/4885

“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.