SCHEMBL3842790

SCHEMBL3842790

CC1(C)C=Nc2ccc(-c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.35
PGR P06401 7/20 0.35
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
NOTUM Q6P988 1/20 0.34
ALOX5 P09917 1/20 0.34
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL3844515 0.86 ALOX5 (0.38) PDK2PGRRARARARBRARG
SCHEMBL29639106 0.74 HTR5A (0.35) PDK2RAB9AL3MBTL1
Iodide SCHEMBL29258426 0.72 HTR5A (0.37) RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL30881482 0.72 HTR5A (0.34) RAB9AL3MBTL1
SCHEMBL11159024 0.72 ALDH1A1 (0.43) KMT2ASMN1; SMN2GAAALDH1A1LMNA
SCHEMBL1538338 0.72 HTR2A (0.35) PDK2SMN1; SMN2ALDH1A1
SCHEMBL3910718 0.70 MEN1 (0.42) PDK2PGRRARARARBRARG
SCHEMBL5850008 0.70 MEN1 (0.42) PDK2PGRRARARARBRARG
SCHEMBL38661507 0.70 MEN1 (0.42) PDK2PGRRARARARBRARG
SCHEMBL4965729 0.64 RARB (0.69) RARARARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1308480-B1 CYANINE DYES FUJIFILM CORP (JP) 2009-11-11 EP disclosed
US-6939975-B2 Cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2005-09-06 US disclosed
US-20040054192-A1 Cyanine dyes FUJIFILM CORPORATION (JP) 2004-03-18 US disclosed
EP-1308480-A1 CYANINE DYES FUJI PHOTO FILM CO., LTD. (JP) 2003-05-07 EP disclosed
EP-0532798-B1 An electroluminescent element ASAHI CHEMICAL IND (JP) 1995-12-06 EP disclosed
US-5281489-A Anode, cathode, organic luminescent layer disposed between, the luminescent layer comprising a fluorescent luminescent agent, a hole moving and donating agent, an electron moving and donating agent ASASHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-01-25 US disclosed
EP-0532798-A1 An electroluminescent element ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1993-03-24 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-20040054192-A1 Cyanine dyes IK, PYM1, CLIC1 PDK2 4627/4885PGR 4550/4885RARA 2718/4885

“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.