SCHEMBL5328376

SCHEMBL5328376

Cc1cc(O)c(C(=O)c2ccccc2C(=O)O)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
KMT2A Q03164 4/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.47
AKR1C3 P42330 2/20 0.46
NR4A1 P22736 1/20 0.46
MAPT P10636 3/20 0.45
KDM4E B2RXH2 2/20 0.45
HSD17B10 Q99714 2/20 0.45
PKM P14618 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
GAA P10253 1/20 0.45
CDC25B P30305 2/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29054492 0.87 ALDH1A1 (0.57) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL13805308 0.87 ALDH1A1 (1.00) ALDH1A1KMT2ACYP3A4CYP2C9MEN1
SCHEMBL597374 0.85 ALDH1A1 (0.63) ALDH1A1KMT2ACYP3A4CYP2C9MEN1
SCHEMBL11883814 0.84 ALDH1A1 (0.55) ALDH1A1KMT2ACYP3A4CYP2C9MEN1
SCHEMBL3664055 0.84 MAPT (0.54) ALDH1A1KMT2ACYP3A4MEN1SMN1; SMN2
SCHEMBL9149245 0.79 ALDH1A1 (0.68) ALDH1A1KMT2ACYP3A4MEN1POLB
SCHEMBL22939099 0.78 ALDH1A1 (0.71) ALDH1A1KMT2ACYP3A4CYP2C9MEN1
SCHEMBL22939100 0.78 ALDH1A1 (0.71) ALDH1A1KMT2ACYP3A4CYP2C9MEN1
SCHEMBL6055735 0.78 MAPT (0.54) ALDH1A1KMT2ACYP3A4MEN1AKR1C3
SCHEMBL11550449 0.76 ALDH1A1 (0.73) ALDH1A1KMT2ACYP3A4CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419966-B1 UV-ABSORBING VINYLIC MONOMERS AND USES THEREOF ALCON INC (CH) 2020-03-25 EP disclosed
US-7294724-B2 Process for manufacture of fluoran dyes APPLETON PAPERS INC. (US) 2007-11-13 US disclosed
WO-2007021635-A2 PROCESS FOR MANUFACTURE OF FLUORAN DYES APPLETON PAPERS INC. (US) 2007-02-22 WO disclosed
US-20070037989-A1 Reacting in the presence of an alkane- or arenesulfonic acid a (m-hydrocarboxyphenyl)(p-disubstitutedaminophenyl)amine and an o-benzoylbenzoic acid to form a fluoran dye, e.g., 2',3'-dimethyl-6'-[4-dimethylaminophenyl]amino-spiro[isobenzofuran-1(3H), 9'-[9H]xanthene]-3-one APPLETON PAPER INC. (US) 2007-02-15 US disclosed
US-4954631-A INFRARED ABSORPTION; BLACK SHIN NISSO KAKO CO., LTD. (JP) 1990-09-04 US disclosed
US-4826806-A CHROMOGENIC DYES SHIN NISSO KAKO CO., LTD. (JP) 1989-05-02 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 (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-20070037989-A1 Reacting in the presence of an alkane- or arenesulfonic acid a (m-hydrocarboxyphenyl)(p-disubstitutedaminophenyl)amine and an o-benzoylbenzoic acid to form a fluoran dye, e.g., 2',3'-dimethyl-6'-[4-dimethylaminophenyl]amino-spiro[isobenzofuran-1(3H), 9'-[9H]xanthene]-3-one ARSA, AHR, C9 ALDH1A1 183/4885KMT2A 2266/4885CYP3A4 1899/4885

“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.