SCHEMBL21140941

SCHEMBL21140941

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.80
MAPT P10636 7/20 0.80
SMN1; SMN2 Q16637 2/20 0.80
RARA P10276 6/20 0.65
RXRA P19793 5/20 0.65
RARB P10826 4/20 0.65
RARG P13631 4/20 0.65
PTGS1 P23219 4/20 0.65
CYP3A4 P08684 4/20 0.65
HIF1A Q16665 3/20 0.65
LMNA P02545 3/20 0.65
ALOX15 P16050 3/20 0.65
RXRB P28702 2/20 0.65
RXRG P48443 2/20 0.65
RORC P51449 2/20 0.65
ADORA3 P0DMS8 2/20 0.65
MAPK1 P28482 2/20 0.65
HTR2B P41595 2/20 0.65
BLM P54132 2/20 0.65
DRD3 P35462 2/20 0.65

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
SCHEMBL23356521 0.89 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3500196 0.89 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1718339 0.89 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL1718341 0.89 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL7127846 0.89 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL13395869 0.87 ALDH1A1 (0.62) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3699969 0.86 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3701619 0.86 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3129368 0.85 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2RARARXRA
SCHEMBL3129371 0.85 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2RARARXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10322996-B2 Method for producing N-retinoylcysteic acid alkyl ester ARDENIA INVESTMENTS, LTD (GB) 2019-06-18 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-10322996-B2 Method for producing N-retinoylcysteic acid alkyl ester AHCY, LRAT, RARA ALDH1A1 225/4885MAPT 1429/4885SMN1; SMN2 2976/4885

“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.