SCHEMBL483124

SCHEMBL483124

CCCN(CCC)C(=O)c1cc[c]cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.57
EGFR P00533 2/20 0.54
ERBB2 P04626 2/20 0.54
TP53 P04637 1/20 0.53
HPGD P15428 4/20 0.47
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LIMK1 P53667 1/20 0.40

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
SCHEMBL2678371 0.89 EGFR (0.56) MLYCDEGFRERBB2TP53HPGD
SCHEMBL21224537 0.86 EGFR (0.50) MLYCDEGFRERBB2HPGDALDH1A1
SCHEMBL21224990 0.86 EGFR (0.50) MLYCDEGFRERBB2HPGDALDH1A1
SCHEMBL21224557 0.86 EGFR (0.50) MLYCDEGFRERBB2HPGDALDH1A1
SCHEMBL9694832 0.86 MLYCD (0.72) MLYCDEGFRERBB2TP53HPGD
SCHEMBL467330 0.84 HPGD (0.56) MLYCDHPGDALDH1A1NPC1L3MBTL1
SCHEMBL1003735 0.80 TP53 (0.68) MLYCDEGFRERBB2TP53HPGD
SCHEMBL11485018 0.80 HPGD (0.56) MLYCDEGFRERBB2HPGDALDH1A1
SCHEMBL15475072 0.79 TP53 (0.51) MLYCDEGFRERBB2TP53HPGD
SCHEMBL2224812 0.79 MLYCD (0.37) MLYCDEGFRERBB2TP53HPGD

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 479 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0830349-B1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS DU PONT PHARM CO (US) 2000-03-22 EP claimed
US-5877312-A Method for preparing alkylating agents for their use for alkylating cyclic ureas DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-02 US claimed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US claimed
US-10961405-B2 Fluorine-containing acetophenone derivative, fluroine based additive, curable composition including same, and cured product thereof DIC CORPORATION (JP) 2021-03-30 US disclosed
EP-1657286-B1 Radiation curable ink jet ink, comprising a polymerisation initiation sensitising dye FUJIFILM CORP (JP) 2018-07-04 EP disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
EP-1859954-B2 Planographic printing plate precursor and stack thereof FUJIFILM CORP (JP) 2017-11-08 EP disclosed
EP-2042921-B1 Pigment dispersion composition, photocurable composition and color filter FUJIFILM CORP (JP) 2017-10-25 EP disclosed
EP-2006738-B1 Lithographic printing plate precursor FUJIFILM CORP (JP) 2017-09-06 EP disclosed
EP-1975707-B1 Curable composition and planographic printing plate precursor FUJIFILM CORP (JP) 2017-07-19 EP disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
EP-0822447-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1998-02-04 EP disclosed
US-5703140-A CONTAINS ETHYLENICALLY UNSATURATED BOND, OXIME ETHER COMPOUND, SPECTRAL SENSITIZING DYE FUJI PHOTO FILM CO., LTD. (JP) 1997-12-30 US disclosed
US-5637780-A Method for preparing alkylating agents and their use for alkylating cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-10 US disclosed
US-5609992-A UNSATURATED COMPOUND AND A THIAZOLONE PHOTOSENSITIZER FUJI PHOTO FILM CO., LTD. (JP) 1997-03-11 US disclosed
EP-0726497-A2 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1996-08-14 EP disclosed
EP-0726498-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1996-08-14 EP disclosed
EP-0724197-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1996-07-31 EP disclosed
US-5532356-A Method for preparing N,N'-disubstituted cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US disclosed
EP-0710887-A1 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 1996-05-08 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-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK CCNT1, EIF4A1, MARK1 MLYCD 4485/4885EGFR 3247/4885ERBB2 2388/4885

“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.