SCHEMBL19183188

SCHEMBL19183188

COc1ccccc1/C=C/C(=O)c1c(O)cccc1OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.72
▸ AR P10275 3/20 0.72
▸ NR1H4 Q96RI1 4/20 0.71
▸ MAOA P21397 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ MAPT P10636 2/20 0.67
▸ RAB9A P51151 2/20 0.67
▸ KDM4E B2RXH2 2/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ ATM Q13315 1/20 0.67
▸ NPSR1 Q6W5P4 1/20 0.67
▸ TDP1 Q9NUW8 1/20 0.67
▸ AURKA O14965 1/20 0.65
▸ LMNA P02545 1/20 0.64
▸ BCHE P06276 1/20 0.64
▸ NFE2L2 Q16236 2/20 0.62
▸ TFEB P19484 1/20 0.62
▸ ABCG2 Q9UNQ0 1/20 0.60

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
SCHEMBL19183190 1.00 MAOB (0.72) MAOBARNR1H4MAOANPC1
SCHEMBL26605004 0.90 AURKA (0.61) MAOBARNR1H4MAOANPC1
SCHEMBL30918537 0.90 MAOB (0.69) MAOBARNR1H4MAOANPC1
SCHEMBL26605033 0.89 AURKA (0.60) MAOBARNR1H4MAOANPC1
SCHEMBL19183398 0.89 NFE2L2 (0.67) MAOBARNR1H4MAOANPC1
SCHEMBL19183397 0.89 NFE2L2 (0.67) MAOBARNR1H4MAOANPC1
SCHEMBL16928592 0.86 MAOB (0.59) MAOBARNR1H4MAOANPC1
SCHEMBL16928593 0.86 MAOB (0.59) MAOBARNR1H4MAOANPC1
SCHEMBL16948581 0.86 MAOB (0.58) MAOBARNR1H4MAOANPC1
SCHEMBL19183469 0.86 AURKA (0.66) MAOBARNR1H4MAOAAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-01-10 — — US disclosed
WO-2017132135-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-03 — — 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-20190008797-A1 ESTROGEN RECEPTOR ALPHA COLIGANDS, AND METHODS OF USE THEREOF ESRRG, GPER1, ESR2 MAOB 3735/4885AR 143/4885NR1H4 46/4885

“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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