SCHEMBL17636607

SCHEMBL17636607

CCC(C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1)C(CC)C1CCC(c2ccc(O)c(C3CCCCC3)c2)(c2ccc(O)c(C3CCCCC3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.42
BACE1 P56817 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
SHBG P04278 2/20 0.39
THRB P10828 2/20 0.33
PPARA Q07869 1/20 0.33
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ADRB2 P07550 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
ACMSD Q8TDX5 1/20 0.30
THRA P10827 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL23241908 0.86 HSP90AA1 (0.45) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL17636606 0.83 ESR1 (0.41) HSP90AA1ESR1ESR2SHBGPPARA
SCHEMBL20225257 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL5881414 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL29401448 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL10595392 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL9008331 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL278620 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL3021025 0.81 ESR1 (0.56) NUDT1BACE1HSP90AA1ESR1ESR2
SCHEMBL17636585 0.80 ESR1 (0.58) ESR1ESR2SHBGPPARALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9822237-B2 Resin composition, film, polarizing plate protective film, polarizing plate, liquid crystal display device, and bis type alicyclic cardo phenol compound FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-9822237-B2 Resin composition, film, polarizing plate protective film, polarizing plate, liquid crystal display device, and bis type alicyclic cardo phenol compound FUJIFILM CORPORATION (JP) 2017-11-21 US disclosed
US-20160090467-A1 RESIN COMPOSITION, FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE, AND BIS TYPE ALICYCLIC CARDO PHENOL COMPOUND FUJIFILM CORPORATION (JP) 2016-03-31 US disclosed
US-20160090467-A1 RESIN COMPOSITION, FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE, AND BIS TYPE ALICYCLIC CARDO PHENOL COMPOUND FUJIFILM CORPORATION (JP) 2016-03-31 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-20160090467-A1 RESIN COMPOSITION, FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, LIQUID CRYSTAL DISPLAY DEVICE, AND BIS TYPE ALICYCLIC CARDO PHENOL COMPOUND RRS1, XIAP, ARID2 NUDT1 2553/4885BACE1 3902/4885HSP90AA1 1095/4885

“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.