SCHEMBL22216656

SCHEMBL22216656

Oc1ccc(-c2ccc(O)c(C(c3ccc(C4CCCCC4)cc3)c3cc(-c4ccc(O)cc4)ccc3O)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 11/20 0.41
ACMSD Q8TDX5 2/20 0.40
DEGS1 O15121 1/20 0.40
APP P05067 1/20 0.39
ESR1 P03372 5/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX5 P09917 1/20 0.38
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL759437 0.89 ACMSD (0.48) ESR2ACMSDDEGS1ESR1CYP3A4
SCHEMBL29376163 0.89 ACMSD (0.48) ESR2ACMSDDEGS1ESR1CYP3A4
SCHEMBL22317296 0.87 ESR2 (0.56) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL22317295 0.84 ESR2 (0.43) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL22316997 0.82 ALOX5 (0.54) ESR2ESR1CYP3A4ALOX5KMT2A
SCHEMBL18380942 0.82 ALOX5 (0.54) ESR2ESR1CYP3A4ALOX5KMT2A
SCHEMBL18623947 0.82 ALOX5 (0.54) ESR2ESR1CYP3A4ALOX5KMT2A
SCHEMBL22317301 0.82 ESR2 (0.46) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL10296816 0.81 ESR2 (0.55) ESR2DEGS1ESR1CYP3A4CYP2D6
SCHEMBL19806871 0.80 ESR2 (0.41) ESR2ACMSDDEGS1ESR1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-06 US disclosed
WO-2020145406-A1 FILM FORMING COMPOSITION, RESIST COMPOSITION, RADIATION-SENSITIVE COMPOSITION, METHOD FOR PRODUCING AMORPHOUS FILM, RESIST PATTERN FORMATION METHOD, COMPOSITION FOR FORMING LOWER LAYER FILM FOR LITHOGRAPHY, METHOD FOR PRODUCING LOWER LAYER FILM FOR LITHOGRAPHY, AND CIRCUIT PATTERN FORMATION METHOD 三菱瓦斯化学株式会社 2020-07-16 WO disclosed
WO-2020145407-A1 POLYCYCLIC POLYPHENOL RESIN AND PRODUCTION METHOD FOR POLYCYCLIC POLYPHENOL RESIN 三菱瓦斯化学株式会社 2020-07-16 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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD CROCC, RDX, RBBP9 ESR2 3012/4885ACMSD 2074/4885DEGS1 1604/4885

“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.