SCHEMBL4953255

SCHEMBL4953255

CCC(=O)OC(C(=O)O)C(OC(=O)CC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MMP9 P14780 1/20 0.50
MMP13 P45452 1/20 0.50
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR3 O14843 1/20 0.38
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 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
SCHEMBL19846200 1.00 MMP1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19846192 0.91 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19846176 0.91 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19846183 0.91 SLC1A3 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12091193 0.88 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6892557 0.88 MMP1 (0.67) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1468445 0.86 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8096888 0.84 SLC1A2 (0.54) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8096897 0.84 SLC1A2 (0.54) MMP1MMP2MMP3MMP9MMP13
SCHEMBL8096891 0.84 SLC1A2 (0.54) MMP1MMP2MMP3MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514201-A1 Separation process using organic acids and novel organic acids Philip Morris Products Inc. (US) 1992-11-19 EP claimed
US-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-02-08 US disclosed
US-7358384-B2 Processes for the recovery of optically active diacyltartaric acids TORAY FINE CHEMICALS CO., LTD. (JP) 2008-04-15 US disclosed
US-20060058546-A1 Processes for the recovery of optically active diacyltartatic acids TORAY FINE CHEMICALS CO., LTD. (JP) 2006-03-16 US disclosed
EP-1586551-A1 PROCESSES FOR THE RECOVERY OF OPTICALLY ACTIVE DIACYLTARTATIC ACIDS Toray Fine Chemicals Co., Ltd. (JP) 2005-10-19 EP disclosed
WO-1995005154-A1 CLEANSING COMPOSITION UNILEVER PLC (GB) 1995-02-23 WO disclosed
EP-0354068-B1 Optically active piperazine derivative NIPPON CHEMIPHAR CO (JP) 1994-06-15 EP disclosed
US-4978666-A INCREASED CEREBRAL CIRCULATION; ANTICOAGULANTS NIPPON CHEMIPHAR CO., LTD. (JP) 1990-12-18 US disclosed
EP-0354068-A2 Optically active piperazine derivative NIPPON CHEMIPHAR CO., LTD. (JP) 1990-02-07 EP 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-20180037840-A1 THERMOCLEAVABLE FRICTION MODIFIERS AND METHODS THEREOF F12, F5, F3 MMP1 683/4885MMP2 2609/4885MMP3 1101/4885

“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.