SCHEMBL13005284

SCHEMBL13005284

C=CCCOc1ccc(C(=O)Oc2ccc(-c3ccc4c5c(c(C(=O)OC)cc4c3)C=CC(c3ccccc3)(c3ccc(N4CCCCC4)cc3)O5)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 6/20 0.34
ESR2 Q92731 6/20 0.34
KDM4E B2RXH2 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
ALOX5 P09917 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
SCHEMBL13005291 0.86 ALDH1A1 (0.33) ALDH1A1TSHRNPSR1MAPT
SCHEMBL16474343 0.86 ALDH1A1 (0.34) ESR1ESR2KDM4EMRGPRX4ALDH1A1
SCHEMBL16479409 0.86 ESR1 (0.34) ESR1ESR2KDM4EMRGPRX4ALDH1A1
SCHEMBL15693690 0.83 DHODH (0.35) KDM4EALDH1A1TSHRNPSR1MAPT
SCHEMBL15693594 0.82 NR4A2 (0.34) KDM4EALDH1A1TSHRMAPTRAB9A
SCHEMBL7784131 0.81 MAPT (0.39) KDM4EALDH1A1TSHRNPSR1MAPT
SCHEMBL13005293 0.80 ALDH1A1 (0.33) KDM4EALDH1A1MAPT
SCHEMBL13005279 0.79 S1PR1 (0.35) MAPT
SCHEMBL16474355 0.79 LMNA (0.38) KDM4EALDH1A1TSHRNPSR1MAPT
SCHEMBL16479408 0.79 METAP1 (0.35) ESR1ESR2KDM4EALDH1A1TSHR

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 ESR1 2266/4885ESR2 983/4885KDM4E 4272/4885

“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.