SCHEMBL12893282

SCHEMBL12893282

Cc1ccc(C2(c3ccc(O)c(O)c3)CCCCCC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.67
ESR2 Q92731 4/20 0.67
ACHE P22303 1/20 0.49
TRPA1 O75762 1/20 0.45
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.42
ALOX12 P18054 3/20 0.42
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
HSD11B1 P28845 3/20 0.40
HSD11B2 P80365 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL4743330 0.89 ESR1 (0.69) ESR1ESR2ACHETRPA1ALDH1A1
SCHEMBL17532656 0.87 ESR1 (0.68) ESR1ESR2ACHETRPA1ALDH1A1
SCHEMBL5524287 0.86 ESR1 (0.74) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL1257469 0.84 ESR1 (0.59) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL12893182 0.84 ESR1 (0.59) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL18403094 0.83 ESR1 (0.60) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL1257862 0.83 ESR1 (0.57) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL14262227 0.82 ESR1 (0.96) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL12893281 0.82 ESR1 (0.80) ESR1ESR2ACHEALDH1A1L3MBTL1
SCHEMBL822829 0.82 ESR1 (0.80) ESR1ESR2ACHEALDH1A1L3MBTL1

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-8822548-B2 Compounds with activity at estrogen receptors ACADIA PHARMACEUTICALS INC. (US) 2014-09-02 US disclosed
US-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2011-02-24 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-20110046237-A1 COMPOUNDS WITH ACTIVITY AT ESTROGEN RECEPTORS ESR2, ESR1, GPER1 ESR1 2/4885ESR2 1/4885ACHE 1943/4885

“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.