SCHEMBL4324009

SCHEMBL4324009

COCCOCC1CCO1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPK1 P28482 1/20 0.38
PDK1 Q15118 5/20 0.35
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL4324007 1.00 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL10538389 0.90 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL13294314 0.86 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL409592 0.84
SCHEMBL23539641 0.84
SCHEMBL23592420 0.84 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL23592882 0.84 TSHR (0.41) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL23592555 0.82 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL3095945 0.82 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16004821 0.82 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088506-A1 SYNTHESIS OF ENERGETIC THERMOPLASTIC ELASTOMERS CONTAINING BOTH POLYOXIRANE AND POLYOXETANE BLOCKS ALLIANT TECHSYSTEMS INC. (US) 2009-04-02 US claimed
WO-1999021808-A1 ENERGETIC OXETANE PROPELLANTS CORDANT TECHNOLOGIES, INC. (US) 1999-05-06 WO claimed
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8927458-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2015-01-06 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-8658798-B2 Herbicide triazolylpyridine ketones BAYER CROPSCIENCE AG (DE) 2014-02-25 US disclosed
US-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2013-11-07 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES BAYER CROPSCIENCE AG (DE) 2011-09-29 US disclosed
WO-1999021808-A1 ENERGETIC OXETANE PROPELLANTS CORDANT TECHNOLOGIES, INC. (US) 1999-05-06 WO 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 (2 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-20130296168-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK TSHR 705/4885SMN1; SMN2 4529/4885ALDH1A1 43/4885
US-20110237800-A1 HERBICIDE TRIAZOLYLPYRIDINE KETONES DDT, PDK4, BCKDK TSHR 628/4885SMN1; SMN2 4574/4885ALDH1A1 56/4885

“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.