SCHEMBL1667196

SCHEMBL1667196

CC(=O)c1cc(C(C)=O)c(C)c(C(C)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.41
CYP2A6 P11509 1/20 0.39
KDM4E B2RXH2 1/20 0.39
AKR1C3 P42330 5/20 0.38
AKR1C2 P52895 5/20 0.38
MAPT P10636 4/20 0.37
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
PTGS2 P35354 1/20 0.37
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL27733846 0.85 KDM4E (0.47) CA5AKDM4EAKR1C3AKR1C2KMT2A
SCHEMBL27468745 0.81 TPMT (0.48) SMN1; SMN2KDM4EAKR1C3AKR1C2KMT2A
SCHEMBL13932440 0.79 CA5A (0.56) CA5ASMN1; SMN2LMNAKDM4EAKR1C3
SCHEMBL28572602 0.79 CA5A (0.50) CA5ASMN1; SMN2LMNAAKR1C3AKR1C2
SCHEMBL27970730 0.77 CA5A (0.48) CA5ASMN1; SMN2LMNAAKR1C3AKR1C2
SCHEMBL6513031 0.77 CA5A (0.48) CA5ASMN1; SMN2LMNAAKR1C3AKR1C2
SCHEMBL28382276 0.77 CA5A (0.48) CA5ASMN1; SMN2LMNAAKR1C3AKR1C2
SCHEMBL6900728 0.77 CA5A (0.48) CA5ASMN1; SMN2LMNAKDM4EAKR1C3
SCHEMBL669554 0.76 CA5A (0.67) CA5ASMN1; SMN2LMNACYP2A6MAPT
SCHEMBL96185 0.76 CA5A (0.52) CA5ASMN1; SMN2LMNACYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111995527-B Preparation method of insensitive explosive TATB 北京理工大学 2021-06-04 CN disclosed
CN-111995527-A Novel preparation method of insensitive explosive TATB 北京理工大学 2020-11-27 CN disclosed
EP-1830228-B1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2015-08-05 EP disclosed
EP-2808736-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-12-03 EP disclosed
US-8802353-B2 Compound for resist and radiation-sensitive composition specification MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-08-12 US disclosed
EP-2662727-A2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-11-13 EP disclosed
US-8350096-B2 Compound for resist and radiation-sensitive composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2013-01-08 US disclosed
US-20130004896-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION SPECIFICATION ECHIGO MASATOSHI (JP) 2013-01-03 US disclosed
US-20110165516-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION ECHIGO MASATOSHI 2011-07-07 US disclosed
US-7919223-B2 Polyphenol compound synthesized by condensation between aromatic ketone or aldehyde and a phenol; acid-amplified, non-polymeric resist; highly sensitive to KrF excimer lasers, extreme ultraviolet rays, electron beams, X-rays; resist patterns with high resolution, high heat, etch resistance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2011-04-05 US disclosed
US-20080113294-A1 Compound for Resist and Radiation-Sensitive Composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2008-05-15 US disclosed
EP-1830228-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-09-05 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-20110165516-A1 COMPOUND FOR RESIST AND RADIATION-SENSITIVE COMPOSITION XRCC6, XRCC5, KISS1R CA5A 3510/4885SMN1; SMN2 3867/4885LMNA 1146/4885

“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.