SCHEMBL3986779

SCHEMBL3986779

CCCCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.70
TSHR P16473 1/20 0.70
PARP10 Q53GL7 2/20 0.68
PLA2G4B P0C869 5/20 0.68
RARB P10826 3/20 0.64
GAA P10253 2/20 0.64
RAB9A P51151 2/20 0.64
NPC1 O15118 1/20 0.64
LMNA P02545 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
HSD17B10 Q99714 1/20 0.64
PLA2G4A P47712 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL28741271 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL28869483 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL3952371 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL8108920 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL4652240 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL7455430 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL19723267 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL12954709 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL9306861 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB
SCHEMBL4924443 0.98 TP53 (0.73) TP53TSHRPARP10PLA2G4BRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112574054-B Efficient nitriding reagent and application thereof 北京大学 2022-10-14 CN disclosed
CN-112574054-A Efficient nitriding reagent and application thereof 北京大学 2021-03-30 CN disclosed
US-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
US-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE HURLEY TIMOTHY BRIAN 2009-12-31 US disclosed
EP-2059305-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE Novartis Ag (CH) 2009-05-20 EP disclosed
WO-2008014307-A2 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2008-01-31 WO disclosed
EP-0256820-B1 THERMAL DEVELOPING LIGHT-SENSITIVE MATERIAL KONICA CORPORATION (JP) 1992-07-29 EP disclosed
US-5032499-A High density, stability KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1991-07-16 US disclosed
EP-0256820-A2 Thermal developing light-sensitive material KONICA CORPORATION (JP) 1988-02-24 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 (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-20090325948-A1 INHIBITORS OF UNDECAPRENYL PYROPHOSPHATE SYNTHASE FDPS, UMPS, GGPS1 TP53 3580/4885TSHR 4769/4885PARP10 495/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B TP53 4654/4885TSHR 4126/4885PARP10 1958/4885

“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.