SCHEMBL799662

SCHEMBL799662

CCC(C)NC(=O)c1ccccc1C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.75
MEN1 O00255 3/20 0.75
ALDH1A1 P00352 5/20 0.61
RAB9A P51151 1/20 0.61
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.50
ALOX15 P16050 1/20 0.50
ADRA1A P35348 1/20 0.50
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
APEX1 P27695 1/20 0.50
TAAR1 Q96RJ0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
EPHX2 P34913 1/20 0.48

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
SCHEMBL11823698 0.94 MEN1 (0.83) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL7618625 0.94 KMT2A (0.67) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL28810852 0.88 RAB9A (0.61) KMT2AMEN1ALDH1A1RAB9AHTT
SCHEMBL27642674 0.86 MEN1 (0.71) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL551261 0.85 KMT2A (0.55) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL23689650 0.84 MEN1 (0.73) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL15204485 0.84 MEN1 (0.73) KMT2AMEN1ALDH1A1RAB9AKDM4E
SCHEMBL550463 0.83 ALDH1A1 (0.56) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL6267140 0.83 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1RAB9AHTT
SCHEMBL6366652 0.83 MEN1 (0.71) KMT2AMEN1ALDH1A1RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8672466-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-03-18 US disclosed
US-20120069084-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed
US-20090286094-A1 Polyimide, polyamic acid and processes for the production thereof MITSUBISHI GAS CHEMICAL, INC. 2009-11-19 US disclosed
CN-100368066-C Method for preparing mixed solvent of alkyl phthalic imidine YAYUN TEXILE AGENTS CO LTD (CN) 2008-02-13 CN disclosed
CN-1872402-A Method for preparing mixed solvent of alkyl phthalic imidine YAYUN TEXILE AGENTS CO LTD SHA (CN) 2006-12-06 CN disclosed
US-20060223872-A1 Insecticidal phthalamide derivatives BAYER CROPSCIENCE AG (DE) 2006-10-05 US disclosed
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
EP-1226113-B1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH & CIE (CH) 2005-11-09 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed
US-6677297-B2 PERFUMES FOR TEXTILES; PROLONGED DIFFUSION FIRMENICH SA (CH) 2004-01-13 US disclosed
US-20020144360-A1 Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors FIRMENICH SA (CH) 2002-10-10 US disclosed
EP-1226113-A1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS Firmenich S.A. (CH) 2002-07-31 EP disclosed
WO-2001028980-A1 ESTERS COMPRISING A SECONDARY CARBAMOYL FUNCTION AND THEIR USE AS ODORANT ALCOHOL PRECURSORS FIRMENICH S.A. (CH) 2001-04-26 WO 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-20060223872-A1 Insecticidal phthalamide derivatives CRYAA, PRXL2A, H1-2 KMT2A 53/4885MEN1 477/4885ALDH1A1 1457/4885
US-20020144360-A1 Esters comprising a secondary carbamoyl function and their use as odorant alcohol precursors ADH1C, ADH1A, CBR1 KMT2A 1871/4885MEN1 3852/4885ALDH1A1 72/4885

“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.