SCHEMBL16639666

SCHEMBL16639666

CC(=O)Nc1ccc(COC2CCCCO2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.48
EP300 Q09472 1/20 0.48
SLC18A3 Q16572 1/20 0.43
ICAM1 P05362 1/20 0.43
SELE P16581 1/20 0.43
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAMPT P43490 1/20 0.42
DHODH Q02127 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL5141254 0.83 CREBBP (0.42) CREBBPEP300ICAM1SELEEPHX2
SCHEMBL10007917 0.83 ICAM1 (0.45) CREBBPEP300ICAM1SELEALDH1A1
SCHEMBL14949940 0.82 CREBBP (0.41) CREBBPEP300SLC18A3ICAM1SELE
SCHEMBL4310575 0.82 CREBBP (0.53) CREBBPEP300ICAM1SELEKDM4E
SCHEMBL3809200 0.81 KMT2A (0.48) CREBBPEP300ICAM1SELEKDM4E
SCHEMBL12354596 0.79 CREBBP (0.42) CREBBPEP300ICAM1SELESMN1; SMN2
SCHEMBL4317051 0.79 ICAM1 (0.45) CREBBPEP300ICAM1SELEALDH1A1
SCHEMBL3811958 0.79 KMT2A (0.64) CREBBPEP300ICAM1SELEALDH1A1
SCHEMBL20857101 0.78 NPSR1 (0.45) CREBBPEP300ICAM1SELEEPHX2
SCHEMBL32681294 0.78 HDAC1 (0.49) CREBBPEP300ICAM1SELEKDM4E

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-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-9278905-B2 Production method for compound comprising amino group and/or hydroxyl group KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-03-08 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 US disclosed
US-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2015-04-16 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-20150105559-A1 PRODUCTION METHOD FOR COMPOUND COMPRISING AMINO GROUP AND/OR HYDROXYL GROUP CA7, DAO, CA4 CREBBP 3084/4885EP300 784/4885SLC18A3 3187/4885

“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.