SCHEMBL17050302

SCHEMBL17050302

CC1(CC2(CC3(CC(=O)O)c4ccccc4-c4ccccc43)COC2)c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.36
AKR1B1 P15121 2/20 0.34
THRB P10828 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
PKM P14618 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PGR P06401 1/20 0.31
KIF11 P52732 2/20 0.30
MAPT P10636 1/20 0.30
ITGA4 P13612 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
SCHEMBL15691746 0.92 APEX1 (0.49) APEX1HTTAKR1B1THRBTDP1
SCHEMBL15691716 0.79 MAPT (0.42) APEX1HTTAKR1B1TDP1KMT2A
SCHEMBL15691719 0.79 APEX1 (0.67) APEX1HTTTHRBTDP1TSHR
SCHEMBL15691739 0.77 APEX1 (0.39) APEX1THRBTDP1CYP2D6KMT2A
SCHEMBL17050306 0.76 ALDH1A1 (0.37) HTTTDP1TSHRKMT2AALDH1A1
SCHEMBL17050327 0.76 APEX1 (0.58) APEX1HTTTHRBTDP1TSHR
SCHEMBL17050331 0.75 MAPT (0.39) APEX1HTTTDP1TSHRKMT2A
SCHEMBL17050225 0.74 APEX1 (0.39) APEX1THRBTDP1KMT2A
SCHEMBL17050168 0.74 PGR (0.35) APEX1CYP2D6KMT2APGR
SCHEMBL29506890 0.73 APEX1 (0.66) APEX1AKR1B1THRBTDP1CYP3A4

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-9518150-B2 Resin composition, stretched film, circularly polarizing plate, and image display device MITSUBISHI CHEMICAL CORPORATION (JP) 2016-12-13 US disclosed
US-20150247002-A1 RESIN COMPOSITION, STRETCHED FILM, CIRCULARLY POLARIZING PLATE, AND IMAGE DISPLAY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2015-09-03 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-20150247002-A1 RESIN COMPOSITION, STRETCHED FILM, CIRCULARLY POLARIZING PLATE, AND IMAGE DISPLAY DEVICE RAD50, RAD54L, PUF60 APEX1 3376/4885HTT 3447/4885AKR1B1 2699/4885

“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.