SCHEMBL2398261

SCHEMBL2398261

CCCCC(CC)COC(=O)/C(C#N)=C/C=C/N(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 5/20 0.47
▸ MAPK1 P28482 3/20 0.47
▸ TSHR P16473 3/20 0.44
▸ CYP3A4 P08684 5/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ATM Q13315 1/20 0.43
▸ CA2 P00918 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PRSS1 P07477 1/20 0.35
▸ PRSS2 P07478 1/20 0.35
▸ PRSS3 P35030 1/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ GAA P10253 3/20 0.34

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
SCHEMBL12101253 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL2398264 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL18698664 1.00 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12101263 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14768429 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL14095062 0.94 ALDH1A1 (0.44) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12292855 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL5272544 0.89 ALDH1A1 (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12668069 0.83 TSHR (0.48) ALDH1A1LMNAMAPK1TSHRCYP3A4
SCHEMBL12667157 0.82 TSHR (0.47) ALDH1A1LMNAMAPK1TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 — — US claimed
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 — — US disclosed
US-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2012-10-25 — — US disclosed
WO-2011113719-A2 COMPOSITION COMPRISING A DIBENZOYLMETHANE SCREENING AGENT AND A MEROCYANINE DICYANO OR CYANOACETATE DERIVATIVE; METHOD FOR THE PHOTOSTABILIZATION OF THE DIBENZOYLMETHANE SCREENING AGENT L'OREAL (FR) 2011-09-22 — — WO disclosed
WO-2011054387-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT L'OREAL (FR) 2011-05-12 — — WO 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-20120269749-A1 COSMETIC COMPOSITIONS COMPRISING AN ESTER DERIVED FROM 4-CARBOXY-2-PYRROLIDINONE AND A MEROCYANIN SCREENING AGENT; USE OF SAID DERIVATIVE AS A SOLVENT FOR A MEROCYANIN SCREENING AGENT PYCR1, TYR, PAH ALDH1A1 661/4885LMNA 1104/4885MAPK1 1754/4885

“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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