SCHEMBL12376778

SCHEMBL12376778

CCCOC(=O)c1ccc2c(c1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
ESR1 P03372 4/20 0.54
TDP1 Q9NUW8 2/20 0.54
TSHR P16473 2/20 0.54
CHRM1 P11229 1/20 0.54
SLC6A2 P23975 1/20 0.54
KDR P35968 1/20 0.54
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
NPC1 O15118 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
STS P08842 1/20 0.46
KDM2B Q8NHM5 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
SCHEMBL20100242 0.88 ESR1 (0.57) ALDH1A1ESR1TSHRLMNAMAPT
SCHEMBL457941 0.87 CA12 (0.56) ALDH1A1ESR1KDM4ELMNAMEN1
SCHEMBL31359527 0.84 ALDH1A1 (0.56) ALDH1A1ESR1KDM4ELMNAMEN1
SCHEMBL16329478 0.84 ALDH1A1 (0.56) ALDH1A1ESR1KDM4ELMNAMEN1
SCHEMBL17013373 0.83 ALDH1A1 (0.55) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL12411755 0.81 ALDH1A1 (0.45) ALDH1A1TDP1TSHRKDM4EMEN1
SCHEMBL31544703 0.78 ALDH1A1 (0.56) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL2633409 0.78 ALDH1A1 (0.56) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL27357789 0.78 ALDH1A1 (0.60) ALDH1A1TDP1TSHRMEN1KMT2A
SCHEMBL12376796 0.78 ALDH1A1 (0.45) ALDH1A1TDP1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8691490-B2 Sulfonium salt, polymer, method for producing the polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-08 US disclosed
US-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-08-04 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-20110189607-A1 NOVEL SULFONIUM SALT, POLYMER, METHOD FOR PRODUCING THE POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS RPS4Y1, ETV6, RPS4X ALDH1A1 4540/4885ESR1 243/4885TDP1 3710/4885

“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.