SCHEMBL2962394

SCHEMBL2962394

CC(C)OCCOC(=O)C(O)CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.34
PGD P52209 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 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
SCHEMBL2962370 0.95 SMN1; SMN2 (0.38) SMN1; SMN2SLC22A6PGDKDM4ELMNA
SCHEMBL2956605 0.84 SMN1; SMN2 (0.35) SMN1; SMN2KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL27732846 0.78 SMN1; SMN2 (0.43) SMN1; SMN2SLC22A6ALDH1A1MAPTGABRR1
SCHEMBL21436836 0.78 SMN1; SMN2 (0.43) SMN1; SMN2SLC22A6KDM4EALDH1A1
SCHEMBL2953324 0.78 SMN1; SMN2 (0.39) SMN1; SMN2SLC22A6PGDALDH1A1
SCHEMBL1561848 0.78 SMN1; SMN2 (0.46) SMN1; SMN2SLC22A6ALDH1A1MAPTLMNA
SCHEMBL8985139 0.77 SMN1; SMN2 (0.50) SMN1; SMN2SLC22A6GABRR1LMNA
SCHEMBL2962827 0.77 ALDH1A1 (0.50) SMN1; SMN2SLC22A6ALDH1A1
SCHEMBL2959729 0.77 SMN1; SMN2 (0.38) SMN1; SMN2SLC22A6PGD
SCHEMBL2964325 0.76 ALDH1A1 (0.48) SMN1; SMN2SLC22A6KDM4EALDH1A1

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-7766978-B2 Acidic hair dyeing method KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2010-08-03 US disclosed
US-20090100609-A1 ACIDIC HAIR DYE COMPOSITION KOKYU ALCOHOL KOGYO CO., LTD. (JP) 2009-04-23 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-20090100609-A1 ACIDIC HAIR DYE COMPOSITION H1-0, MRM1, H1-4 SMN1; SMN2 3802/4885SLC22A6 543/4885PGD 2259/4885

“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.