SCHEMBL14566832

SCHEMBL14566832

CCC(C)/N=c1/ccc2c(-c3ccccc3C(=O)O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 4/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ USP2 O75604 4/20 0.42
▸ BLM P54132 3/20 0.42
▸ POLB P06746 2/20 0.42
▸ PPARG P37231 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ NCOR2 Q9Y618 1/20 0.42
▸ FTO Q9C0B1 2/20 0.40
▸ TGM2 P21980 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ SLC16A3 O15427 1/20 0.39
▸ SLC16A1 P53985 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ABCB1 P08183 1/20 0.38

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
SCHEMBL17399557 0.92 MEN1 (0.41) FPR2MEN1KMT2AUSP2BLM
SCHEMBL14559742 0.92 MEN1 (0.44) FPR2MEN1KMT2AUSP2BLM
SCHEMBL17517217 0.87 TGM2 (0.42) FPR2MEN1KMT2AUSP2BLM
SCHEMBL15100483 0.87 TGM2 (0.42) FPR2MEN1KMT2AUSP2BLM
Hydrochloric Acid SCHEMBL11336327 0.86 TGM2 (0.42) FPR2MEN1KMT2AUSP2BLM
SCHEMBL14192855 0.86 ABCB1 (0.40) FPR2MEN1KMT2AUSP2BLM
SCHEMBL17224287 0.86 TGM2 (0.45) FPR2MEN1KMT2AUSP2BLM
SCHEMBL10595794 0.84 FPR2 (0.41) FPR2MEN1KMT2AUSP2BLM
SCHEMBL14534277 0.83 MEN1 (0.41) FPR2MEN1KMT2AUSP2BLM
Hydrochloric Acid SCHEMBL6026152 0.83 FPR2 (0.41) FPR2MEN1KMT2AUSP2BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664406-B2 Fluorescent probe compounds, preparation method and use thereof DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2014-03-04 — — US disclosed
US-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound MARQUETTE UNIVERSITY 2007-03-08 — — 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-20070054410-A1 include at least one fluorophore; may be used as reagents for detecting thiol-containing compounds; fluorescein isothiocyantate/rhodamine B diamino phenyl disulfide compound TST, PFAS, SQOR FPR2 424/4885MEN1 4714/4885KMT2A 4495/4885

“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.

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