SCHEMBL10282973

SCHEMBL10282973

C=CCOCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KEAP1 Q14145 1/20 0.44
RAB9A P51151 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
HTR2A P28223 1/20 0.40
SCN1A P35498 1/20 0.40
HTR2B P41595 1/20 0.40
KCNH2 Q12809 1/20 0.40
SCN2A Q99250 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
SCN3A Q9NY46 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL20465874 0.96 TSHR (0.49) TSHRSMN1; SMN2KEAP1RAB9AMEN1
SCHEMBL111438 0.81 TSHR (0.58) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL16104624 0.81 TSHR (0.44) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL7106263 0.79 TSHR (0.61) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL5565860 0.78 TSHR (0.49) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL13086252 0.78 TSHR (0.42) TSHRSMN1; SMN2KEAP1RAB9AALDH1A1
SCHEMBL664660 0.78 SMN1; SMN2 (0.48) TSHRSMN1; SMN2KEAP1RAB9AALDH1A1
SCHEMBL27357923 0.77 POLB (0.41) MEN1KMT2AALDH1A1SIGMAR1
SCHEMBL18672765 0.77 ALDH1A1 (0.44) TSHRSMN1; SMN2KEAP1ALDH1A1MAPK1
SCHEMBL3387923 0.76 ALDH1A1 (0.42) TSHRSMN1; SMN2KEAP1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180223133-A1 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING THE BIO-ELECTRODE, AND POLYMER COMPOUND SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-08-09 US disclosed
EP-2602244-B1 (Meth) Acrylic acid ester, activation energy ray curing composition, and inkjet recording ink RICOH CO LTD (JP) 2017-07-26 EP disclosed
US-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES FRONTIER SCIENTIFIC, INC. (US) 2012-02-16 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-20120041193-A1 SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES BLVRB, BTD, BCL6B TSHR 1474/4885SMN1; SMN2 941/4885KEAP1 2633/4885

“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.