SCHEMBL5145846

SCHEMBL5145846

CCC(C)(C)c1ccc(OC(C)[C]=O)c(C(C)(C)CC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPSR1 Q6W5P4 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 5/20 0.43
HTT P42858 3/20 0.43
UBE2N P61088 2/20 0.43
GLA P06280 1/20 0.43
MITF O75030 1/20 0.43
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 1/20 0.40
CASP3 P42574 1/20 0.40
ATM Q13315 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
RAD52 P43351 2/20 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
SCHEMBL9769426 0.89 MAPK1 (0.41) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5143774 0.84 MAPK1 (0.49) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7227225 0.84 MAPK1 (0.53) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL8961897 0.83 MAPK1 (0.48) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7061883 0.83 MAPK1 (0.48) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7786644 0.82 MAPK1 (0.47) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL9511637 0.81 MAPK1 (0.52) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL7107870 0.81 MAPK1 (0.50) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL5489761 0.81 MAPK1 (0.50) MAPK1SMN1; SMN2NPSR1MEN1KMT2A
SCHEMBL3276899 0.79 MAPK1 (0.55) MAPK1SMN1; SMN2NPSR1MEN1KMT2A

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 16 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-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 MAPK1 3376/4885SMN1; SMN2 4599/4885NPSR1 3437/4885
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 MAPK1 3376/4885SMN1; SMN2 4599/4885NPSR1 3437/4885

“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.