SCHEMBL371441

SCHEMBL371441

CC(O)C(=O)OC(C)C(=O)O.[KH]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
PKM P14618 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 2/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
KLK7 P49862 1/20 0.30

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
SCHEMBL21295799 1.00 TP53 (0.48) TP53CYP1A2GAACYP2C9PKM
SCHEMBL27912680 0.98 TP53 (0.46) TP53CYP1A2GAACYP2C9PKM
SCHEMBL18651139 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL21768461 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL8557040 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL23673200 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL44463 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL29743149 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL12046593 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL29743150 0.97 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105399622-B A kind of method of use heavy constituent production of lactic acid potassium lactate 武汉三江航天固德生物科技有限公司 2017-09-19 CN claimed
EP-2410031-B1 BASE MATERIAL FOR SPRAYING COMPRISING LOW-MOLECULAR GELLING AGENT NISSAN CHEMICAL CORP (JP) 2019-04-24 EP disclosed
CN-105399622-B A kind of method of use heavy constituent production of lactic acid potassium lactate 武汉三江航天固德生物科技有限公司 2017-09-19 CN disclosed
CN-105399622-B A kind of method of use heavy constituent production of lactic acid potassium lactate 武汉三江航天固德生物科技有限公司 2017-09-19 CN disclosed
CN-105399622-B A kind of method of use heavy constituent production of lactic acid potassium lactate 武汉三江航天固德生物科技有限公司 2017-09-19 CN disclosed
US-9333158-B2 Spray base material including low-molecular gelator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-05-10 US disclosed
CN-102105553-B Novel lipid dipeptides and gels NISSAN CHEMICAL IND LTD 2013-11-13 CN disclosed
US-20120035108-A1 SPRAY BASE MATERIAL INCLUDING LOW-MOLECULAR GELATOR KYUSHU UNIVERSITY (JP) 2012-02-09 US disclosed
EP-2410031-A1 BASE MATERIAL FOR SPRAYING COMPRISING LOW-MOLECULAR GELLING AGENT Nissan Chemical Industries, Ltd. (JP) 2012-01-25 EP disclosed
CN-102105553-A Novel lipid dipeptides and gels NISSAN CHEMICAL IND LTD 2011-06-22 CN disclosed
CN-1052655-C Human relaxin formulation GENENTECH INC (US) 2000-05-24 CN disclosed
US-5831130-A Condensed phase preparation of 2,3-pentanedione BOARD OF TRUSTEES OPERATING MICHIGAN STATE UNIVERSITY (US) 1998-11-03 US disclosed
WO-1998047846-A1 CONDENSED PHASE PREPARATION OF 2,3-PENTANEDIONE MICHIGAN STATE UNIVERSITY (US) 1998-10-29 WO disclosed
CN-1035619-A HUMAN RELAXIN FORMULATION GENENTECH INC (US) 1989-09-20 CN 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-20120035108-A1 SPRAY BASE MATERIAL INCLUDING LOW-MOLECULAR GELATOR CUTA, DSG1, STMN1 TP53 587/4885CYP1A2 3336/4885GAA 2501/4885

“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.