SCHEMBL13005291

SCHEMBL13005291

COC(=O)c1cc2cc(-c3ccc(OC(=O)c4ccc(C5CCCCC5)cc4)cc3)ccc2c2c1C=CC(c1ccccc1)(c1ccc(N3CCCC3)cc1)O2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
HPGD P15428 1/20 0.32
DGAT1 O75907 1/20 0.31
CPT1A P50416 1/20 0.31
THRB P10828 1/20 0.30
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL13005293 0.94 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1CYP3A4MAPT
SCHEMBL16479409 0.88 ESR1 (0.34) ALDH1A1TSHRNPSR1KMT2AMEN1
SCHEMBL16474343 0.88 ALDH1A1 (0.34) ALDH1A1TSHRNPSR1KMT2AMEN1
SCHEMBL18971681 0.87 SIRT2 (0.34) ALDH1A1NPSR1KMT2AMEN1CYP3A4
SCHEMBL13005284 0.86 ESR1 (0.34) ALDH1A1TSHRNPSR1MAPT
SCHEMBL13005290 0.85 SIRT2 (0.34)
SCHEMBL13005294 0.85 DHODH (0.35) ALDH1A1TSHRNPSR1KMT2AMEN1
SCHEMBL15693690 0.85 DHODH (0.35) ALDH1A1TSHRNPSR1KMT2AMEN1
SCHEMBL15693594 0.84 NR4A2 (0.34) ALDH1A1TSHRKMT2AMEN1CYP3A4
SCHEMBL7784131 0.83 MAPT (0.39) ALDH1A1TSHRNPSR1KMT2AMEN1

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-20100324296-A1 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES ALPHAMICRON INCORPORATED 2010-12-23 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-20100324296-A1 DICHROIC-PHOTOCHROMIC COMPOUNDS AND DEVICES NR0B2, NR0B1, NR2E3 ALDH1A1 1833/4885TSHR 548/4885NPSR1 298/4885

“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.