SCHEMBL1884733

SCHEMBL1884733

Cc1cc(N(C)C2CCCCC2)c2c(c1Nc1ccccc1)C1(OC2=O)c2ccccc2Oc2ccccc21

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
BRCA1 P38398 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK3 P52333 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IDO1 P14902 5/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.32
LCK P06239 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9847210 0.87 IDO1 (0.33) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9320556 0.86 IDO1 (0.32) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL10885589 0.85 HPGD (0.40) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL1343587 0.83 IDO1 (0.34) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL11039571 0.83 HSD17B10 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6438083 0.81 HPGD (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL9845551 0.81 CHRM2 (0.35) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL6535277 0.81 ALDH1A1 (0.38) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL15056135 0.79 HPGD (0.37) ALDH1A1CYP2C9HPGDALOX15ALOX12
SCHEMBL4667092 0.79 CYP2C9 (0.39) ALDH1A1CYP2C9HPGDALOX15ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60248395-A None JP disclosed
JP-55041277-A None JP disclosed
US-7935473-B2 Photosensitive composition, lithographic printing plate precursor, lithographic printing method, and novel cyanine dyes FUJIFILM CORPORATION (JP) 2011-05-03 US disclosed
US-7517397-B2 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. (US) 2009-04-14 US disclosed
US-20080254384-A1 Cyanine dye containing methine chain and onium salt structure FUJIFILM CORPORATION (JP) 2008-10-16 US disclosed
EP-1871844-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C Technologies LLC (US) 2008-01-02 EP disclosed
US-20060240981-A1 Heat sensitive recording material CIBA SPECIALTY CHEMICALS CORP. 2006-10-26 US disclosed
WO-2006105191-A2 NOVELTY COMPOSITIONS WITH COLOR CHANGING INDICATOR C2C TECHNOLOGIES LLC (US) 2006-10-05 WO disclosed
EP-0291315-A2 Heat-sensitive recording paper FUJI PHOTO FILM CO., LTD. (JP) 1988-11-17 EP disclosed
JP-S60248395-A THERMAL RECORDING MATERIAL RICOH CO LTD 1985-12-09 JP disclosed
JP-S5541277-A SENSIBLE HEAT PAPER THAT CONSERVATIVE PROPERTY OF SURFACE IS IMPROVED MITSUBISHI PAPER MILLS LTD 1980-03-24 JP 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-20080254384-A1 Cyanine dye containing methine chain and onium salt structure INMT, MGMT, IK ALDH1A1 2220/4885CYP2C9 2334/4885HPGD 3828/4885

“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.