SCHEMBL7103569

SCHEMBL7103569

O=C1Cc2c(ccc3c2ccc2ccccc23)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.48
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP2D6 P10635 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
PAX8 Q06710 1/20 0.46
DNMT1 P26358 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP2A6 P11509 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL27976174 0.85 HPRT1 (0.47) HPRT1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL28857916 0.80 HPRT1 (0.58) HPRT1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL9576677 0.77 HPRT1 (0.50) HPRT1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL27516643 0.77 HPRT1 (0.45) HPRT1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL29862069 0.75 KDM4E (0.49) ALDH1A1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL9181184 0.75 KDM4E (0.49) ALDH1A1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL7912459 0.75 DNMT1 (0.55) ALDH1A1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL27463276 0.75 HPRT1 (0.47) HPRT1ALDH1A1CYP1A2CYP2C19CYP2C9
SCHEMBL14490515 0.74 DNMT1 (0.44) ALDH1A1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL31199126 0.74 HPRT1 (0.50) HPRT1ALDH1A1CYP1A2CYP2C19CYP2C9

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-0945264-B1 Anionic infrared-ray absorbing agent, photosensitive composition and planographic printing plate precursor using same FUJI PHOTO FILM CO LTD (JP) 2003-09-24 EP disclosed
US-6444393-B2 AN ANIONIC INFRARED ABSORBING AGENT AND A POLYMERIC COMPOUND THAT IS WATER INSOLUBLE BUT SOLUBLE IN AQUEOUS ALKALINE SOLUTION WHEN IRRADIATED WITH RADIATION FUJI PHOTO FILM CO., LTD. (JP) 2002-09-03 US disclosed
US-20010003639-A1 An anionic infrared absorbing agent and a polymeric compound that is water insoluble but soluble in aqueous alkaline solution when irradiated with radiation TATSUO NAKAMURA 2001-06-14 US disclosed
EP-0945264-A1 Anionic infrared-ray absorbing agent, photosensitive composition and planographic printing plate precursor using same FUJI PHOTO FILM CO., LTD. (JP) 1999-09-29 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-20010003639-A1 An anionic infrared absorbing agent and a polymeric compound that is water insoluble but soluble in aqueous alkaline solution when irradiated with radiation GANAB, GNA11, GLA HPRT1 395/4885ALDH1A1 1492/4885CYP1A2 4335/4885

“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.