SCHEMBL3844515

SCHEMBL3844515

CC1(C)C=Nc2cc(-c3ccccc3)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
RARA P10276 1/20 0.35
RARB P10826 1/20 0.35
RARG P13631 1/20 0.35
NOTUM Q6P988 1/20 0.34
PGR P06401 1/20 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
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP2 O95551 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CTSD P07339 1/20 0.32
FLT3 P36888 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32

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
SCHEMBL3842790 0.86 PDK2 (0.35) ALOX5RARARARBRARGNOTUM
SCHEMBL29639106 0.74 HTR5A (0.35) L3MBTL1RAB9APDK2
Hydrochloric Acid SCHEMBL30881482 0.72 HTR5A (0.34) L3MBTL1RAB9A
Iodide SCHEMBL29258426 0.72 HTR5A (0.37) L3MBTL1RAB9A
SCHEMBL3849541 0.72 TRPA1 (0.31)
SCHEMBL11328547 0.72 HCAR2 (0.33) ALDH1A1
SCHEMBL3912863 0.70 MEN1 (0.39) ALOX5RARARARBRARGPGR
SCHEMBL4965729 0.64 RARB (0.69) RARARARBRARG
SCHEMBL14921236 0.64 NPC1 (0.46) ALOX5RARARARBRARGPGR
SCHEMBL21028531 0.63 PDK2 (0.47) PGRL3MBTL1NPC1RAB9ATDP2

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 4 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

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 ALOX5 4386/4885RARA 2718/4885RARB 3354/4885

“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.