SCHEMBL12434653

SCHEMBL12434653

C=C(CC)OC(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.37
ALOX15 P16050 1/20 0.35
SOAT1 P35610 1/20 0.35
LMNA P02545 3/20 0.34
NAAA Q02083 1/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 1/20 0.31
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
FFAR3 O14843 1/20 0.30

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
SCHEMBL9400963 0.76 TSHR (0.36) TSHRHSD17B10TDP1
SCHEMBL16250 0.74 TSHR (0.42) TSHRSOAT1ALDH1A1
SCHEMBL386957 0.74 NAAA (0.39) TSHRALOX15SOAT1LMNANAAA
Propionic Acid SCHEMBL29071063 0.74 FFAR3 (0.56) TSHRSOAT1LMNAALDH1A1HSD17B10
SCHEMBL1017110 0.74
SCHEMBL8840360 0.73 ALDH1A1 (0.37) TSHRALOX15SOAT1LMNAALDH1A1
SCHEMBL2138364 0.73 SOAT1 (0.41) TSHRALOX15SOAT1LMNAALDH1A1
SCHEMBL5706391 0.72 ALDH1A1 (0.42) TSHRALOX15SOAT1LMNANAAA
SCHEMBL7709726 0.72
SCHEMBL5706390 0.72 ALDH1A1 (0.42) TSHRALOX15SOAT1LMNANAAA

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
US-7981925-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2011-07-19 US disclosed
US-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2010-03-04 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-20100056532-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 TSHR 4111/4885ALOX15 1014/4885SOAT1 1075/4885

“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.