SCHEMBL23082053

SCHEMBL23082053

CC(c1ccc(-c2ccccc2)cc1)(c1c(O)ccc2cc(O)ccc12)c1c(O)ccc2cc(O)ccc12

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.54
▸ ESR2 Q92731 10/20 0.54
▸ HSD17B1 P14061 7/20 0.49
▸ HSD17B2 P37059 7/20 0.49
▸ CYP1A2 P05177 3/20 0.49
▸ CYP3A4 P08684 3/20 0.49
▸ CYP2D6 P10635 3/20 0.49
▸ CYP2C9 P11712 3/20 0.49
▸ CYP2B6 P20813 3/20 0.49
▸ CYP2C19 P33261 3/20 0.49
▸ TLR8 Q9NR97 1/20 0.42
▸ MPL P40238 1/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ CCND1 P24385 1/20 0.39

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
SCHEMBL23861415 0.94 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL23861442 0.91 ESR2 (0.49) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL23082042 0.90 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL19806908 0.90 ESR1 (0.47) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL23861565 0.90 ESR1 (0.40) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL19803933 0.88 ESR1 (0.45) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL19803934 0.85 ESR1 (0.42) ESR1ESR2HSD17B2CYP1A2CYP2D6
SCHEMBL23861639 0.84 CYP1A2 (0.49) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL23861411 0.84 ESR1 (0.41) ESR1ESR2HSD17B1HSD17B2CYP1A2
SCHEMBL23861559 0.82 PTPN22 (0.44) ESR1ESR2HSD17B2CYP1A2CYP2C9

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-20210070727-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-11 — — US disclosed
US-20210070683-A1 COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-11 — — US disclosed
US-20210070685-A1 COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-03-11 — — 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 (4 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-20210070683-A1 COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD RER1, RTN4, FEM1B ESR1 1539/4885ESR2 2068/4885HSD17B1 3543/4885
US-20210070727-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD RDX, RTN4, CROCC ESR1 1453/4885ESR2 1492/4885HSD17B1 2357/4885
US-20210070685-A1 COMPOUND, RESIN, COMPOSITION, RESIST PATTERN FORMATION METHOD AND CIRCUIT PATTERN FORMATION METHOD RER1, RTN4, FEM1B ESR1 1539/4885ESR2 2068/4885HSD17B1 3543/4885
US-11130724-B2 Compound, resin, composition, resist pattern formation method, and circuit pattern formation method RER1, NBAS, INTS9 ESR1 713/4885ESR2 1033/4885HSD17B1 1116/4885

“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.

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