SCHEMBL3084675

SCHEMBL3084675

O=C1OC(=O)c2ccc3c4c(Cl)c(Cl)c5c6c(c(Cl)c(Cl)c(c7ccc1c2c73)c64)C(=O)OC5=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 4/20 0.45
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
ALOX15 P16050 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CYP1A2 P05177 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
CTSA P10619 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 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
SCHEMBL3084206 0.79 TYMS (0.49) TYMSALDH1A1TSHRTDP1POLB
SCHEMBL3090901 0.78 CYP1A2 (0.41) TYMSALDH1A1TSHRMEN1KMT2A
SCHEMBL12748879 0.75 TSHR (0.62) ALDH1A1TSHR
SCHEMBL30606666 0.75 TYMS (0.52) TYMSALDH1A1ALOX15TDP1POLB
SCHEMBL36626 0.75 TYMS (0.52) TYMSALDH1A1ALOX15TDP1POLB
SCHEMBL13009255 0.75 TYMS (0.52) TYMSALDH1A1ALOX15TDP1POLB
SCHEMBL31185814 0.75 TYMS (0.52) TYMSALDH1A1ALOX15TDP1POLB
SCHEMBL29349446 0.75 TYMS (0.52) TYMSALDH1A1ALOX15TDP1POLB
SCHEMBL9512381 0.73 PPOX (0.42) TDP1POLBMEN1KMT2ACYP1A2
SCHEMBL13578730 0.73 TSHR (0.72) TYMSALDH1A1TSHRALOX15TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541583-B2 Monofunctionalized perylenetetracarboxylic acid bismides MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2013-09-24 US disclosed
US-20100324293-A1 Monofunctionalized Perylenetetracarboxylic Acid Bismides MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-12-23 US disclosed
US-7795432-B2 Monofunctionalized perylenetetracarboxylic acid bisimides MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2010-09-14 US disclosed
US-20070043218-A1 Monofunctionalized perylenetetracarboxylic acid bisimides MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-02-22 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-20100324293-A1 Monofunctionalized Perylenetetracarboxylic Acid Bismides PIN1, PARN, COASY TYMS 920/4885ALDH1A1 1710/4885TSHR 4834/4885

“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.