SCHEMBL12880518

SCHEMBL12880518

CC1=C(CCC(C)CCC/C(C)=C/CO)C(C)(C)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.48
TRPA1 O75762 5/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALOX15 P16050 2/20 0.43
ALOX5 P09917 1/20 0.43
RARB P10826 2/20 0.42
RARG P13631 2/20 0.42
RARA P10276 1/20 0.42
RXRA P19793 1/20 0.42
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 1/20 0.38
NR1I2 O75469 1/20 0.37
USP2 O75604 1/20 0.37
RBP4 P02753 1/20 0.37
APP P05067 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL25976658 0.83 ALOX15 (0.47) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL10818080 0.83 ALOX15 (0.56) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL23587919 0.83 ALOX15 (0.56) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL10818084 0.83 ALOX15 (0.56) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL16389605 0.81 ALOX5 (0.42) PTPN1TRPA1MEN1KMT2AALOX15
SCHEMBL21574083 0.79 MEN1 (0.46) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL23587933 0.79 ALOX15 (0.64) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL3148661 0.78 MEN1 (0.44) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL15082353 0.77 RARB (0.41) TRPA1MEN1KMT2AALOX15ALOX5
SCHEMBL5439347 0.76 MEN1 (0.39) TRPA1MEN1KMT2AALOX15ALOX5

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-20110034554-A1 COMPOSITIONS AND METHODS FOR TREATING MACULAR DEGENERATION THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2011-02-10 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-20110034554-A1 COMPOSITIONS AND METHODS FOR TREATING MACULAR DEGENERATION NR2E3, ALDH1A2, TTPA PTPN1 4791/4885TRPA1 3539/4885MEN1 3200/4885

“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.