SCHEMBL44463

SCHEMBL44463

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.32
GAA P10253 1/20 0.32
CYP2C9 P11712 1/20 0.32
PKM P14618 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
KLK7 P49862 1/20 0.31
SLC7A5 Q01650 1/20 0.31

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
SCHEMBL21768461 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL29743149 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL18651139 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL28010837 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL29743150 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL12046593 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL23673200 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL8557040 1.00 TP53 (0.50) TP53CYP1A2GAACYP2C9PKM
SCHEMBL21295799 0.97 TP53 (0.48) TP53CYP1A2GAACYP2C9PKM
Ammonia Solution, Strong SCHEMBL3684743 0.97 TP53 (0.48) 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 573 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113555122-B Predictive model of transient and persistent AKI of severe sepsis patient and construction method thereof 中南大学湘雅二医院 2024-04-26 CN claimed
CN-112125409-B Method for improving anaerobic denitrification efficiency by coupling oneidensis MR-1 and nano graphene sheet 同济大学 2021-08-20 CN claimed
CN-112837826-A Severe sequential organ failure scoring method and system based on machine learning 浙江大学温州研究院 2021-05-25 CN claimed
CN-112125409-A Method for improving anaerobic denitrification efficiency by coupling oneidensisMR-1 and nano graphene sheet 同济大学 2020-12-25 CN claimed
CN-112048500-A Paracoccus denitrificans/Shewanella/graphene/calcium alginate denitrification gel microsphere as well as preparation method and application thereof 同济大学 2020-12-08 CN claimed
EP-2616455-B1 LACTYLATE SYNTHESIS METHODS USING DILACTIDES CARAVAN INGREDIENTS INC (US) 2020-12-02 EP claimed
EP-2616455-A1 LACYLATE SYNTHESIS METHODS USING DILACTIDES Caravan Ingredients Inc. (US) 2013-07-24 EP claimed
US-8383851-B2 Lactylate synthesis methods using dilactides CARAVAN INGREDIENTS INC. (US) 2013-02-26 US claimed
WO-2012036693-A1 LACYLATE SYNTHESIS METHODS USING DILACTIDES CARAVAN INGREDIENTS INC. (US) 2012-03-22 WO claimed
US-20120065422-A1 LACTYLATE SYNTHESIS METHODS USING DILACTIDES CARAVAN INGREDIENTS INC. (US) 2012-03-15 US claimed
WO-2001072938-A1 LAUNDRY TREATMENT GRANULE AND DETERGENT COMPOSITION CONTAINING SAME UNILEVER PLC (GB) 2001-10-04 WO claimed
WO-2001072937-A1 LAUNDRY TREATMENT FOR FABRICS UNILEVER PLC (GB) 2001-10-04 WO claimed
WO-2001072944-A1 LAUNDRY TREATMENT FOR FABRICS UNILEVER PLC (GB) 2001-10-04 WO claimed
US-6288022-B1 LAUNDERING FABRIC, I.E., CELLULOSE, IN WASH LIQUOR CONTAINING A WATER SOLUBLE/DISPERSIBLE REBUILD AGENT THAT INCREASES AFFINITY TO FIBER UPON DEESTERIFICATION OF ESTER OR CARBAMATE GROUPS PENDANT TO A POLYMERIC BACKBONE, I.E., CELLULOSE ESTER UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-09-11 US claimed
EP-1117754-A1 TREATMENT FOR FABRICS UNILEVER PLC (GB) 2001-07-25 EP claimed
EP-1117755-A1 TREATMENT FOR SUBSTRATES UNILEVER PLC (GB) 2001-07-25 EP claimed
EP-1065144-A1 Method for packaging mussels and similar shellfish, and thus obtained package with shellfish Roem van Yerseke B.V. (NL) 2001-01-03 EP claimed
WO-2000018860-A1 TREATMENT FOR FABRICS UNILEVER PLC (GB) 2000-04-06 WO claimed
WO-2000018861-A1 TREATMENT FOR SUBSTRATES UNILEVER PLC (GB) 2000-04-06 WO claimed
US-5401773-A Treating comedones ROUSSEL-UCLAF (FR) 1995-03-28 US claimed

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-20120065422-A1 LACTYLATE SYNTHESIS METHODS USING DILACTIDES ELOVL6, LCT, ELOVL1 TP53 4768/4885CYP1A2 934/4885GAA 400/4885

“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.