SCHEMBL11896002

SCHEMBL11896002

CC=CCCCCCC#N

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
HIF1A Q16665 4/20 0.39
EPAS1 Q99814 4/20 0.39
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
HMGCR P04035 2/20 0.32
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.30
PPARG P37231 1/20 0.30
OPRK1 P41145 1/20 0.30
ABCG2 Q9UNQ0 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
SCHEMBL22294661 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL20847794 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL2564858 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL2564856 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL30883184 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL11896000 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL14925210 1.00 TSHR (0.44) TSHRHIF1AEPAS1ALDH1A1TDP1
SCHEMBL514049 0.98
SCHEMBL514050 0.98
SCHEMBL514860 0.98

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-2487149-A1 METHOD FOR PRODUCING KETONE JX Nippon Oil & Energy Corporation (JP) 2012-08-15 EP disclosed
US-20120197036-A1 METHOD FOR MANUFACTURING KETONE OSAKA UNIVERSITY (JP) 2012-08-02 US disclosed
CN-102548942-A Method for producing ketone JX NIPPON OIL & ENERGY CORP 2012-07-04 CN 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-20120197036-A1 METHOD FOR MANUFACTURING KETONE CBR1, CBR3, DUOX1 TSHR 2444/4885HIF1A 482/4885EPAS1 3404/4885

“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.