SCHEMBL21340183

SCHEMBL21340183

CC(c1ccccc1)(c1cccc(O)c1O)c1cccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
CA2 P00918 2/20 0.45
ALOX15 P16050 3/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ADAMTS4 O75173 1/20 0.42
EGFR P00533 1/20 0.42
CA1 P00915 1/20 0.42
FYN P06241 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CA6 P23280 1/20 0.42
CDK2 P24941 1/20 0.42
MMP12 P39900 1/20 0.42

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
SCHEMBL23861438 0.92 CA2 (0.48) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL1410514 0.85 ALDH1A1 (0.60) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL29688168 0.85 ALDH1A1 (0.60) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL9495142 0.85 CA2 (0.54) ALDH1A1TDP1TSHRCA2ALOX15
SCHEMBL9488340 0.84 ALDH1A1 (0.50) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL23861352 0.84 ESR1 (0.52) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL7799140 0.83 ALDH1A1 (0.58) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL983097 0.81 ALDH1A1 (0.60) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL30438488 0.81 ESR1 (0.47) ESR1ESR2ALDH1A1TDP1TSHR
SCHEMBL1001138 0.80 ESR1 (0.52) ESR1ESR2ALDH1A1TDP1TSHR

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-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
WO-2019173595-A2 FUNCTIONAL MOLECULES AND OTHER STRUCTURAL CARBON-BASED MOLECULES WITH RIGID BACKBONES AND KINKED SEGMENTS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2019-09-12 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 ESR1 713/4885ESR2 1033/4885ALDH1A1 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.