SCHEMBL15912010

SCHEMBL15912010

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nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
PDE4A P27815 1/20 0.50
CYP2C9 P11712 2/20 0.44
TET2 Q6N021 3/20 0.33
TP53 P04637 1/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL12189739 1.00 TSHR (0.50) TSHRPDE4ACYP2C9TET2TP53
Mucic Acid SCHEMBL5497 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL5312196 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL19695496 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL77363 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL15895451 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL7224759 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL3514596 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL17594183 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1
Mucic Acid SCHEMBL18871641 0.84 TSHR (0.69) TSHRPDE4ACYP2C9TP53ALDH1A1

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-9403755-B2 Isometheptene isomer TONIX PHARMA HOLDINGS LIMITED (BERMUDA) (BM) 2016-08-02 US disclosed
US-20140212486-A1 ISOMETHEPTENE ISOMER TONIX PHARMACEUTICALS INC. (US) 2014-07-31 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-20140212486-A1 ISOMETHEPTENE ISOMER HRH1, OPRM1, AGTR1 TSHR 884/4885PDE4A 1332/4885CYP2C9 1366/4885

“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.