SCHEMBL17050231

SCHEMBL17050231

COC(=O)C1(C2(C)c3ccccc3-c3ccccc32)c2ccccc2-c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
ITGA4 P13612 1/20 0.45
POLB P06746 3/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
HTT P42858 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDK2 Q15119 6/20 0.39
IDO1 P14902 1/20 0.38
APEX1 P27695 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL14026066 0.89 ALDH1A1 (0.50) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL4217613 0.79 ALDH1A1 (0.49) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL14045843 0.78 ALDH1A1 (0.42) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL18994214 0.78 ALDH1A1 (0.42) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL18663375 0.77 ALDH1A1 (0.50) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL30204529 0.77 ALDH1A1 (0.50) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL29663083 0.76 THRB (0.59) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL3245527 0.76 THRB (0.59) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL9672587 0.76 ALDH1A1 (0.49) ALDH1A1MAPTITGA4POLBKDM4E
SCHEMBL18748397 0.75 PDK2 (0.46) THRBTDP1PDK2

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-9682060-B2 Small molecules that induce intrinsic pathway apoptosis THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-06-20 US disclosed
US-20170105963-A1 SMALL MOLECULES THAT INDUCE INTRINSIC PATHWAYS APOPTOSIS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-04-20 US disclosed
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 (2 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 ALDH1A1 3155/4885MAPT 1376/4885ITGA4 38/4885
US-20170105963-A1 SMALL MOLECULES THAT INDUCE INTRINSIC PATHWAYS APOPTOSIS AIFM1, VDAC1, AFG3L2 ALDH1A1 3882/4885MAPT 4465/4885ITGA4 2243/4885

“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.