SCHEMBL10072541

SCHEMBL10072541

OCCCOCC1CCC(COCC2CO2)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPK1 P28482 1/20 0.37
SPHK2 Q9NRA0 4/20 0.36
SPHK1 Q9NYA1 4/20 0.36
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
GBA1 P04062 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
PDK1 Q15118 1/20 0.31
SMO Q99835 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
SCHEMBL14923195 0.91 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL2677431 0.90
SCHEMBL20102780 0.86 TSHR (0.68) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13360001 0.86 TSHR (0.68) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15834831 0.86 TSHR (0.75) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19450572 0.86 TSHR (0.82) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL12914753 0.86 TSHR (0.82) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL19450571 0.86 TSHR (0.82) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL12873237 0.85 TSHR (0.72) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL123896 0.84 TSHR (0.78) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999177-B1 RADIATION-OR THERMALLY-CURABLE BARRIER SEALANTS HENKEL AG & CO KGAA (DE) 2016-05-11 EP disclosed
WO-2013090529-A1 NEAR-INFRARED ABSORBING FILM COMPOSITION FOR LITHOGRAPHIC APPLICATION INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-20 WO disclosed
WO-2012003136-A1 DENTAL COMPOSITION, KIT OF PARTS AND USE THEREOF 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-01-05 WO disclosed
US-20100065871-A1 POLYMERS WITH TRANSMISSION INTO THE ULTRAVIOLET UNIVERSITY OF STRATHCLYDE (GB) 2010-03-18 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-20100065871-A1 POLYMERS WITH TRANSMISSION INTO THE ULTRAVIOLET PUF60, C9, PARG TSHR 4160/4885SMN1; SMN2 4288/4885ALDH1A1 1029/4885

“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.