SCHEMBL12858095

SCHEMBL12858095

C=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.54
▸ HSD17B10 Q99714 1/20 0.54
▸ POLB P06746 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALOX12 P18054 1/20 0.36
▸ FAAH O00519 1/20 0.36

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
SCHEMBL6561602 0.86 KMT2A (0.47) TSHRHSD17B10POLBRAB9ATHRB
SCHEMBL12871180 0.75 THRB (0.43) TSHRHSD17B10POLBTHRBSMN1; SMN2
SCHEMBL19198662 0.75 THRB (0.48) TSHRPOLBRAB9ATHRBSMN1; SMN2
SCHEMBL6559314 0.74 KMT2A (0.49) TSHRPOLBTHRBSMN1; SMN2ALDH1A1
SCHEMBL12858430 0.73 TSHR (0.58) TSHRHSD17B10POLBRAB9ASMN1; SMN2
SCHEMBL12858044 0.73 TSHR (0.68) TSHRHSD17B10POLBRAB9ASMN1; SMN2
SCHEMBL12858017 0.73 TSHR (0.58) TSHRHSD17B10POLBRAB9ASMN1; SMN2
SCHEMBL6561558 0.71 KMT2A (0.58) TSHRTHRBALDH1A1PKMKMT2A
SCHEMBL10830538 0.69 TSHR (0.41) TSHRPOLBRAB9ATHRBSMN1; SMN2
SCHEMBL12858249 0.69 RAB9A (0.53) TSHRHSD17B10POLBRAB9ATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS WARATAH PHARMACEUTICALS INC. (CA) 2011-02-03 — — 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-20110028719-A1 SCREENING METHODS FOR AMYLOID BETA MODULATORS APP, BACE1, IAPP TSHR 4310/4885HSD17B10 3376/4885POLB 4264/4885

“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.

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