SCHEMBL414516

SCHEMBL414516

COC(=O)CCCCCCCCCCC1OCCO1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.44
KMT2A Q03164 1/20 0.42
EPHX2 P34913 5/20 0.42
TDP1 Q9NUW8 3/20 0.41
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
PPARG P37231 2/20 0.39
NR2E3 Q9Y5X4 2/20 0.39
NCOR2 Q9Y618 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 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
SCHEMBL7373034 1.00 TSHR (0.50) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL18530674 0.85 TSHR (0.50) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL6896564 0.85 TSHR (0.50) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL5104542 0.85 TSHR (0.50) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL31674323 0.85 TSHR (0.54) TSHRLMNAALDH1A1KMT2AEPHX2
SCHEMBL30510726 0.84 TSHR (0.50) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL18593567 0.83 TSHR (0.52) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL27967920 0.82 TSHR (0.56) TSHRLMNAALDH1A1GLAKMT2A
SCHEMBL11026734 0.78 LMNA (0.54) TSHRLMNAALDH1A1KMT2AEPHX2
SCHEMBL4081536 0.78 TSHR (0.48) TSHRLMNAALDH1A1GLAKMT2A

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-8394996-B2 Method for producing aldehyde functional compounds EVONIK DEGUSSA GMBH (DE) 2013-03-12 US disclosed
US-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS EVONIK DEGUSSA GMBH (DE) 2012-01-26 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-20120022276-A1 METHOD FOR PRODUCING ALDEHYDE FUNCTIONAL COMPOUNDS FASN, ALDH2, ALOX12 TSHR 4779/4885LMNA 1519/4885ALDH1A1 11/4885

“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.