SCHEMBL22316996

SCHEMBL22316996

CC(C)Cc1ccc(C(c2cc(-c3ccc(O)cc3)ccc2O)c2cc(-c3ccc(O)cc3)ccc2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.46
▸ ESR2 Q92731 2/20 0.46
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ AKR1C2 P52895 2/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ PTGS1 P23219 4/20 0.40
▸ PTGS2 P35354 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ ALOX5 P09917 2/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ AKR1C3 P42330 2/20 0.40
▸ CXCR1 P25024 2/20 0.40

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
SCHEMBL18380942 0.84 ALOX5 (0.54) ESR1ESR2ALOX5CYP3A4
SCHEMBL18623947 0.84 ALOX5 (0.54) ESR1ESR2ALOX5CYP3A4
SCHEMBL22316997 0.84 ALOX5 (0.54) ESR1ESR2ALOX5CYP3A4
SCHEMBL22317289 0.83 ALOX5 (0.46) ESR1ESR2GAAPTGS1ALOX5
SCHEMBL22316988 0.81 ALOX15 (0.46) ESR1ESR2GAAMAPTSLC6A2
SCHEMBL21241671 0.80 ALOX5 (0.46) ESR1ESR2ALOX5
SCHEMBL6838062 0.79 ESR1 (0.64) ESR1ESR2GAAMAPTCRHBP
SCHEMBL28174185 0.79 TAAR1 (0.59) ESR1ESR2GABRA1GABRB2GAA
SCHEMBL19806863 0.79 ESR1 (0.47) ESR1ESR2GABRA1GABRB2GAA
SCHEMBL19864010 0.79 MMP3 (0.52) ESR1ESR2GAAMAPTLMNA

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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-08-06 — — 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-20200247739-A1 COMPOUND, RESIN, COMPOSITION, PATTERN FORMATION METHOD, AND PURIFICATION METHOD CROCC, RDX, RBBP9 ESR1 2253/4885ESR2 3012/4885GABRA1 3728/4885

“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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