SCHEMBL23861575

SCHEMBL23861575

CC(C)(C=C(O)O)c1c(O)ccc2cc(O)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 11/20 0.38
▸ ESR2 Q92731 11/20 0.38
▸ CYP2C9 P11712 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP3A4 P08684 2/20 0.37
▸ CYP2D6 P10635 2/20 0.37
▸ HSD17B1 P14061 2/20 0.37
▸ CYP2B6 P20813 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ HSD17B2 P37059 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NR1I2 O75469 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MIF P14174 1/20 0.37
▸ TYR P14679 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TLR8 Q9NR97 1/20 0.36

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
SCHEMBL23861459 0.80 CYP2C9 (0.44) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861565 0.76 ESR1 (0.40) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861442 0.75 ESR2 (0.49) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861635 0.74 ESR1 (0.39) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861629 0.74 ESR2 (0.46) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861415 0.72 ESR1 (0.47) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861486 0.71 ESR1 (0.36) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861576 0.71 ESR1 (0.33) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23082053 0.71 ESR1 (0.54) ESR1ESR2CYP2C9CYP1A2CYP3A4
SCHEMBL23861643 0.69 MAPT (0.38) ESR1ESR2CYP2C9CYP1A2CYP3A4

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 1033/4885CYP2C9 436/4885

“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.

Send feedback