SCHEMBL16653571

SCHEMBL16653571

O=c1[nH]ccc(OCCC(F)(F)F)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ SCN8A Q9UQD0 6/20 0.38
▸ SCN10A Q9Y5Y9 6/20 0.38
▸ MAPT P10636 1/20 0.36
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ EPHX2 P34913 2/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ PARP14 Q460N5 1/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP2 Q9UGN5 1/20 0.33
▸ PARP3 Q9Y6F1 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ BUB1 O43683 1/20 0.32

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
SCHEMBL16710170 0.86 PIM1 (0.43) PIM1PIM3CLK4MAPTROCK2
SCHEMBL14152978 0.82 MAPT (0.42) MAPTROCK2TNKSPARP1ROCK1
SCHEMBL10760551 0.69 PIM1 (0.46) PIM1PIM3CLK4MAPTPARP1
SCHEMBL17979374 0.69 PTGDR2 (0.39) PARP1PARP3
SCHEMBL5862985 0.66 MAOB (0.51) —
SCHEMBL3976914 0.65 MAPT (0.63) CLK4MAPTPDE3BPDE3APARP1
SCHEMBL11062191 0.64 KCNA3 (0.58) HDAC1HDAC2
SCHEMBL4420937 0.64 ALDH1A1 (0.65) MAPTPDE3AEPHX2
SCHEMBL692156 0.63 MAPT (0.56) PIM1PIM3CLK4MAPTPDE3B
SCHEMBL8108278 0.63 MAPT (0.47) MAPTROCK2TNKSPARP1ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598372-B2 Bromodomain inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-03-21 — — US disclosed
US-20160115134-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 — — US disclosed
US-9115114-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-08-25 — — US disclosed
US-20150183784-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-07-02 — — US disclosed
US-9034900-B2 Bromodomain inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-05-19 — — US disclosed
US-20150111885-A1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-04-23 — — 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 (3 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-20150111885-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PIM1 2186/4885PIM3 2314/4885CLK4 2431/4885
US-20150183784-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PIM1 2186/4885PIM3 2314/4885CLK4 2431/4885
US-20160115134-A1 BROMODOMAIN INHIBITORS BRD3, EP300, BRPF3 PIM1 2186/4885PIM3 2314/4885CLK4 2431/4885

“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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