SCHEMBL21189652

SCHEMBL21189652

CC(c1ccccc1)(c1ccc(O)cc1S)c1ccc(O)cc1S

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 6/20 0.55
ESR1 P03372 5/20 0.55
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 3/20 0.46
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
TYR P14679 3/20 0.37
ALOX15 P16050 2/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP2C9 P11712 1/20 0.37
MIF P14174 1/20 0.37
HTT P42858 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALOX5 P09917 1/20 0.33
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL21189657 0.81 ESR1 (0.39) ESR2ESR1ALDH1A1CYP3A4ALOX15
SCHEMBL23861350 0.81 ESR2 (0.59) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL15841510 0.80 ESR1 (0.62) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL9651462 0.80 ESR2 (0.57) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL23861363 0.78 ALDH1A1 (0.59) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL21189651 0.77 ESR1 (0.45) ESR2ESR1ALDH1A1CYP3A4ALOX15
SCHEMBL9815465 0.74 ALDH1A1 (0.59) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL21409698 0.73 ESR1 (0.49) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL23861540 0.72 ESR2 (0.52) ESR2ESR1ALDH1A1CYP3A4POLB
SCHEMBL21189658 0.72 KIF11 (0.41) ESR2ESR1ALDH1A1CYP2C9HSD17B2

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-11130724-B2 Compound, resin, composition, resist pattern formation method, and circuit pattern formation method MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-09-28 US disclosed
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 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-11130724-B2 Compound, resin, composition, resist pattern formation method, and circuit pattern formation method RER1, NBAS, INTS9 ESR2 1033/4885ESR1 713/4885ALDH1A1 1644/4885

“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.