SCHEMBL15918985

SCHEMBL15918985

Cc1ccc2c(c1)NC(=O)CC2C

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 8/20 0.56
BRD4 O60885 8/20 0.56
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MMP12 P39900 1/20 0.46
THRB P10828 1/20 0.46
EPHX2 P34913 1/20 0.44
SIRT1 Q96EB6 1/20 0.43
IDO1 P14902 2/20 0.41
ACHE P22303 1/20 0.41
EP300 Q09472 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL434946 0.86 BRD4 (0.53) CREBBPBRD4TDP1L3MBTL1MMP12
SCHEMBL20715625 0.81 CREBBP (0.54) CREBBPBRD4TDP1L3MBTL1EP300
SCHEMBL13090985 0.80 BRD4 (0.43) CREBBPBRD4TDP1L3MBTL1MMP12
SCHEMBL1038757 0.79 SMN1; SMN2 (0.52) CREBBPBRD4TDP1L3MBTL1IDO1
SCHEMBL12062505 0.77 ACHE (0.58) CREBBPBRD4MMP12EPHX2SIRT1
SCHEMBL9366324 0.77 CREBBP (0.58) CREBBPBRD4EP300
SCHEMBL6219390 0.77 CREBBP (0.58) CREBBPBRD4EP300
SCHEMBL434921 0.77 CREBBP (0.58) CREBBPBRD4EP300
Hydrochloric Acid SCHEMBL30293268 0.75 CREBBP (0.56) CREBBPBRD4EP300
SCHEMBL4909665 0.75 BRD4 (0.65) CREBBPBRD4MMP12EPHX2SIRT1

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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CREBBP 2543/4885BRD4 1807/4885TDP1 3782/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 CREBBP 2543/4885BRD4 1807/4885TDP1 3782/4885

“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.