SCHEMBL2291339

SCHEMBL2291339

Nc1cccc(/C=C/c2cccc(N)c2C(=O)O)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.44
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA7 P43166 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA14 Q9ULX7 2/20 0.41
▸ MAPT P10636 2/20 0.38
▸ LPAR2 Q9HBW0 1/20 0.38
▸ LPAR3 Q9UBY5 1/20 0.38
▸ HDAC3 O15379 2/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC2 Q92769 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ CASP3 P42574 1/20 0.36
▸ SENP8 Q96LD8 1/20 0.36

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
SCHEMBL7778542 0.91 MAPT (0.47) MAPTHDAC3HDAC1HDAC2
SCHEMBL15435861 0.84 MMP2 (0.41) MMP2CA1CA2CA12CA7
SCHEMBL1000014 0.82 MMP2 (0.54) MMP2CA1CA2CA12CA7
SCHEMBL18043789 0.78 MMP2 (0.50) MMP2CA1CA2CA12CA7
SCHEMBL15869337 0.74 MMP2 (0.63) MMP2CA1CA2CA12CA7
SCHEMBL689217 0.74 CA12 (0.70) MMP2CA1CA2CA12CA7
SCHEMBL27925721 0.74 MMP2 (0.63) MMP2CA1CA2CA12CA7
SCHEMBL29409634 0.74 CA12 (0.70) MMP2CA1CA2CA12CA7
SCHEMBL29367294 0.74 MMP2 (0.63) MMP2CA1CA2CA12CA7
SCHEMBL48723 0.74 MMP2 (0.63) MMP2CA1CA2CA12CA7

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-8003228-B2 Highly photoluminescent organic compounds, synthesis thereof, and use thereof in electroluminescent devices STMICROELECTRONICS S.R.L. (IT) 2011-08-23 — — US disclosed
US-20090322212-A1 SYNTHESIS OF NEW ORGANIC MATERIAL FOR POLYMERIC LIGHT EMITTING DIODE STMICROELECTRONICS S.R.L. (IT) 2009-12-31 — — 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-20090322212-A1 SYNTHESIS OF NEW ORGANIC MATERIAL FOR POLYMERIC LIGHT EMITTING DIODE CCND2, MAP1LC3C, CCNL2 MMP2 4617/4885CA1 4714/4885CA2 4366/4885

“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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