SCHEMBL11997282

SCHEMBL11997282

CCC(C)N1CC(C(=O)OC)CC1=O

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
BRD4 O60885 1/20 0.55
MAPT P10636 1/20 0.49
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA6 P23280 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA13 Q8N1Q1 2/20 0.41
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 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
SCHEMBL12667143 0.85 MAPT (0.66) BRD4MAPTGAAALDH1A1POLB
SCHEMBL11622652 0.85 MAPT (0.66) BRD4MAPTGAAALDH1A1POLB
SCHEMBL14145833 0.83 TSHR (0.60) TSHRMAPTGAAPOLBSMN1; SMN2
SCHEMBL8292878 0.83 MAPT (0.72) TSHRMAPTGAAPOLBSMN1; SMN2
SCHEMBL11997219 0.83 MAPT (0.72) TSHRMAPTGAAPOLBSMN1; SMN2
SCHEMBL12741627 0.83 MAPT (0.72) TSHRMAPTGAAPOLBSMN1; SMN2
SCHEMBL563946 0.82 BRD4 (0.53) TSHRBRD4MAPTGAAALDH1A1
SCHEMBL562860 0.82 BRD4 (0.53) TSHRBRD4MAPTGAAALDH1A1
SCHEMBL19295649 0.82 BRD4 (0.55) TSHRBRD4MAPTGAAALDH1A1
SCHEMBL12846946 0.81 TSHR (0.66) TSHRMAPTALDH1A1POLBSMN1; SMN2

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
EP-2289975-B1 Organopolysiloxane compound and amidoamine compound, and cosmetic preparation SHINETSU CHEMICAL CO (JP) 2012-08-22 EP disclosed
US-20110052523-A1 ORGANOPOLYSILOXANE COMPOUND AND AMIDOAMINE COMPOUND, AND COSMETIC PREPARATION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-03-03 US disclosed
EP-2289975-A2 Organopolysiloxane compound and amidoamine compound, and cosmetic preparation Shin-Etsu Chemical Co., Ltd. (JP) 2011-03-02 EP 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-20110052523-A1 ORGANOPOLYSILOXANE COMPOUND AND AMIDOAMINE COMPOUND, AND COSMETIC PREPARATION H1-3, H1-0, H1-2 TSHR 758/4885BRD4 3403/4885MAPT 4442/4885

“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.