SCHEMBL23861443

SCHEMBL23861443

CC(c1ccccc1)(c1c(O)ccc2ccccc12)c1c(O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.47
▸ ESR2 Q92731 2/20 0.47
▸ PTPN22 Q9Y2R2 1/20 0.47
▸ CYP2C19 P33261 3/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ PAK1 Q13153 1/20 0.43
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B2 P37059 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41

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
SCHEMBL23861563 0.95 PTPN22 (0.48) ESR1ESR2PTPN22CYP2C19HSD17B10
SCHEMBL19803934 0.90 ESR1 (0.42) ESR1ESR2PTPN22CYP2C19HSD17B10
SCHEMBL23861559 0.90 PTPN22 (0.44) ESR1ESR2PTPN22CYP2C19HSD17B10
SCHEMBL23861444 0.85 ESR1 (0.50) ESR1ESR2CYP2C19HSD17B10CYP1A2
SCHEMBL23861638 0.85 POLB (0.44) ESR1ESR2PTPN22CYP2C19HSD17B10
SCHEMBL23861442 0.83 ESR2 (0.49) ESR1ESR2CYP2C19HSD17B10CYP1A2
SCHEMBL23861627 0.81 PTPN22 (0.50) PTPN22CYP2C19HSD17B10CYP1A2CYP2C9
SCHEMBL2221239 0.81 PTPN22 (0.54) PTPN22CYP2C19HSD17B10CYP1A2CYP2C9
SCHEMBL20398800 0.81 PTPN22 (0.54) PTPN22CYP2C19HSD17B10CYP1A2CYP2C9
SCHEMBL31356444 0.81 PTPN22 (0.54) PTPN22CYP2C19HSD17B10CYP1A2CYP2C9

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 1 patent. 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

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 1033/4885PTPN22 2079/4885

“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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