SCHEMBL3670253

SCHEMBL3670253

CCC(C(=O)O)c1c(C)cc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.45
AKR1C2 P52895 7/20 0.45
AKR1C1 Q04828 2/20 0.39
PTGS1 P23219 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1C4 P17516 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TPMT P51580 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
SCHEMBL30819282 0.82 LMNA (0.37) AKR1C3AKR1C2SMN1; SMN2HTTNPSR1
SCHEMBL564831 0.78 AKR1C3 (0.58) AKR1C3AKR1C2AKR1C1PTGS1HTT
SCHEMBL510474 0.76 SRC (0.44) AKR1C3AKR1C2AKR1C1PTGS1SMN1; SMN2
SCHEMBL11527109 0.75 ALDH1A1 (0.46) AKR1C3AKR1C2AKR1C1SMN1; SMN2HTT
SCHEMBL8703909 0.74 PPARA (0.32) AKR1C3AKR1C2L3MBTL1
SCHEMBL8708090 0.74 PPARA (0.34) AKR1C3AKR1C2L3MBTL1
SCHEMBL6806673 0.74 KDM4E (0.42) NPSR1KDM4EL3MBTL1ALDH1A1SLC6A2
SCHEMBL3836130 0.73 AKR1C3 (0.35) AKR1C3AKR1C2AKR1C1PTGS1SMN1; SMN2
SCHEMBL21269842 0.72 KDM4E (0.41) NPSR1KDM4EL3MBTL1ALDH1A1SLC6A2
SCHEMBL7146446 0.72 PTGS2 (0.41) AKR1C3AKR1C2PTGS1SMN1; SMN2NPSR1

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
EP-1511707-B1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION SHOWA DENKO KK (JP) 2010-05-19 EP disclosed
US-7115782-B2 Process for producing aromatic compounds by Friedel-Crafts reaction SHOWA DENKO K.K. (JP) 2006-10-03 US disclosed
US-20050222457-A1 Process for producing aromatic compounds by friedel-crafts reaction SHOWA DENKO K.K. (JP) 2005-10-06 US disclosed
EP-1511707-A1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION Showa Denko K.K. (JP) 2005-03-09 EP disclosed
WO-2003101925-A1 PROCESS FOR PRODUCING AROMATIC COMPOUNDS BY FRIEDEL-CRAFTS REACTION SHOWA DENKO K. K. (JP) 2003-12-11 WO disclosed
US-4531008-A Insecticide, miticide SUMITOMO CHEMICAL CO., LTD. (JP) 1985-07-23 US disclosed
US-4266074-A SUBSTITUTED PHENYL BUTENYL ACETATES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1981-05-05 US disclosed
US-4062968-A MITICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-12-13 US disclosed
US-4058622-A Substituted phenyl acetate, insecticidal composition and method of use SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-11-15 US disclosed
US-4039680-A SULFUR CONTAINING HETEROCYCLES SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-02 US disclosed
US-4031235-A Insecticidal substituted acetate compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-21 US disclosed
US-3996244-A Insecticidal esters of substituted furan methanol SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-12-07 US 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-20050222457-A1 Process for producing aromatic compounds by friedel-crafts reaction PAH, DDC, TYR AKR1C3 656/4885AKR1C2 505/4885AKR1C1 609/4885

“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.