SCHEMBL6879848

SCHEMBL6879848

C=CC=C(C)CCC=C(C)C.[CH]

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 3/20 0.56
ALOX15 P16050 3/20 0.52
MEN1 O00255 2/20 0.52
CYP3A4 P08684 2/20 0.52
SQLE Q14534 5/20 0.52
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
PGR P06401 1/20 0.52
MAPT P10636 2/20 0.50
TSHR P16473 1/20 0.50
UGT1A1 P22309 1/20 0.50
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47
POLB P06746 1/20 0.45

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
SCHEMBL2145855 0.98 ALDH1A1 (0.61) ALDH1A1KMT2AALOX15MEN1CYP3A4
SCHEMBL2145863 0.98 ALDH1A1 (0.61) ALDH1A1KMT2AALOX15MEN1CYP3A4
SCHEMBL2146239 0.98 ALDH1A1 (0.61) ALDH1A1KMT2AALOX15MEN1CYP3A4
SCHEMBL6882595 0.93 KMT2A (0.67) ALDH1A1KMT2AALOX15MEN1CYP3A4
SCHEMBL6882598 0.93 KMT2A (0.67) ALDH1A1KMT2AALOX15MEN1CYP3A4
SCHEMBL28069711 0.93 KMT2A (0.67) ALDH1A1KMT2AALOX15MEN1CYP3A4
Phosphoric Acid SCHEMBL2454064 0.88 ALDH1A1 (0.57) ALDH1A1KMT2A
SCHEMBL28959116 0.82 ALDH1A1 (0.43) ALDH1A1KMT2AALOX15MEN1CYP3A4
Citral SCHEMBL2419580 0.81 ALDH1A1 (0.84) ALDH1A1KMT2AALOX15MEN1CYP3A4
Citral SCHEMBL2419581 0.81 ALDH1A1 (0.84) ALDH1A1KMT2AALOX15MEN1CYP3A4

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
US-20040087655-A1 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV (DE) 2004-05-06 US disclosed
EP-1351922-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-10-15 EP disclosed
WO-2002055480-A2 6-SUBSTITUTED INDANOYL AMINO ACID CONJUGATES AS MIMICS TO THE BIOLOGICAL ACTIVITY OF CORONATINE MAX PLANCK GESELLSCHAFT (DE) 2002-07-18 WO 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-20040087655-A1 6-Substituted indanoyl amino acid conjugates as mimics to the biological activity of coronatine CORO1C, CORO1A, AGER ALDH1A1 3951/4885KMT2A 2207/4885ALOX15 1701/4885

“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.