SCHEMBL5147091

SCHEMBL5147091

CCCCC(CC)COc1[c]cc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPK1 P28482 3/20 0.44
CYP3A4 P08684 5/20 0.40
CA2 P00918 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 3/20 0.36
TSHR P16473 4/20 0.36
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7091252 0.82 TDP1 (0.45) ALDH1A1MAPK1CYP3A4CA2L3MBTL1
SCHEMBL3282984 0.78 CYP3A4 (0.40) ALDH1A1MAPK1CYP3A4CA2L3MBTL1
SCHEMBL4778258 0.77 SCN4A (0.35) ALDH1A1MAPT
SCHEMBL5145734 0.77 ALDH1A1 (0.47) ALDH1A1MAPK1CYP3A4CA2L3MBTL1
SCHEMBL340855 0.77 ALDH1A1 (0.48) ALDH1A1MAPK1CYP3A4CA2L3MBTL1
SCHEMBL4833181 0.75 NR5A1 (0.40) TSHRHSD17B10
SCHEMBL358613 0.75 KDM1A (0.38) ALDH1A1
SCHEMBL8469105 0.74 ALDH1A1 (0.42) ALDH1A1MAPK1CYP3A4CA2L3MBTL1
SCHEMBL21531456 0.74 CYP3A4 (0.39) ALDH1A1MAPK1CYP3A4CA2L3MBTL1
SCHEMBL6253697 0.73 ALDH1A1 (0.42) ALDH1A1MAPK1CYP3A4CA2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7205083-B2 Recording material FUJIFILM CORPORATION (JP) 2007-04-17 US disclosed
US-6825373-B2 REACTING AN AMINOPYRROL DERIVATIVE WITH AND ISOTHIOCYANATOFORMIC ACID ESTER DERIVATIVE TO FORM AN ADDUCT,CYCLIZING THE ADDUCT TO FORM PYRROLOTRIAZIN-4-ONE DERIVATIVE FUJI PHOTO FILM CO., LTD. (JP) 2004-11-30 US disclosed
US-6787502-B2 INCLUSION OF A STRONGLY BASIC BIS-GUANIDINE COMPOUND THAT IS SUPERIOR IN DIFFUSION RESISTANCE; SPECIFIED DIAZONIUM SALT COMPOUND AND A PYRROLO(1,2-A)PYRIMIDINE COUPLER IN RECORDING LAYER FUJI PHOTO FILM CO., LTD. (JP) 2004-09-07 US disclosed
US-20040082472-A1 Recording material FUJI PHOTO FILM CO., LTD. 2004-04-29 US disclosed
US-20040048185-A1 Heat-sensitive recording material FUJI PHOTO FILM CO., LTD 2004-03-11 US disclosed
US-20030158038-A1 Guanidine compound and heat sensitive recording material FUJI PHOTO FILM CO., LTD. 2003-08-21 US disclosed
US-6600041-B2 Cyclization of an aminopyrrole compound FUJI PHOTO FILM CO., LTD. (JP) 2003-07-29 US disclosed
US-20030077542-A1 Photopolymerizable composition, recording material and image forming method FUJI PHOTO FILM CO., LTD. 2003-04-24 US disclosed
US-20020128479-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound FUJI PHOTO FILM CO., LTD. 2002-09-12 US disclosed
US-20020065194-A1 Guanidine compound and heat sensitive recording material FUJI PHOTO FILM CO., LTD. 2002-05-30 US disclosed
US-6348529-B1 THERMOSENSITIVE RECORDING WITH TWO ETHERS AND TWO GUANIDINE GROUPS FUJI PHOTO FILM CO., LTD. (JP) 2002-02-19 US disclosed
US-6346359-B1 FORMS COLOR BY REACTION WITH DIAZONIUM SALT; COLORFASTNESS, STORAGE STABILITY, SHELF LIFE; PURPLE AND CYAN HUES FUJI PHOTO FILM CO., LTD. (JP) 2002-02-12 US disclosed
US-20020010330-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound FUJI PHOTO FILM CO., LTD. 2002-01-24 US disclosed
US-6329116-B1 CYAN COUPLER AND A DIAZONIUM SALT COMPOUND, EXCELLENT SHELF LIFE, IMAGE LIGHT-RESISTANCE, IMAGE FIXING, EXCELLENT HUE AND COLOR DENSITY, PREFERABLY MICROENCAPSULATED IN POLYURETHANE OR POLYUREA FUJI PHOTO FILM CO., LTD. (JP) 2001-12-11 US disclosed
US-6316605-B1 FOR USE IN RECORDING MATERIALS FOR THERMAL TRANSFER RECORDING, INK JET RECORDING FUJI PHOTO FILM CO., LTD. (JP) 2001-11-13 US disclosed
US-6228553-B1 SHELF LIFE, STORAGE STABILITY FUJI PHOTO FILM CO., LTD. (JP) 2001-05-08 US disclosed
US-5925489-A CONTAINING DIAZONIUM SALT AND PYRROLOPYRIMIDINE COUPLER WHICH REACT WHEN HEATED TO DEVELOP VIOLET TO CYAN COLORS, IMAGE QUALITY AND STABILITY, SHELF LIFE FUJI PHOTO FILM CO., LTD. (JP) 1999-07-20 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 (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-20020010330-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound PPOX, QPCT, DDT ALDH1A1 461/4885MAPK1 3376/4885CYP3A4 34/4885
US-20020128479-A1 Method of preparing pyrrolotriazin-4-one compound and method of preparing isothiocyanatoformic acid ester derivative that is a reactant used for preparing pyrrolotriazin-4-one compound PPOX, QPCT, DDT ALDH1A1 461/4885MAPK1 3376/4885CYP3A4 34/4885

“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.