SCHEMBL4743488

SCHEMBL4743488

CCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.63
LMNA P02545 4/20 0.63
MAPK1 P28482 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.46
POLB P06746 2/20 0.42
MAPT P10636 3/20 0.42
XBP1 P17861 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KMT2A Q03164 2/20 0.41
ELANE P08246 1/20 0.39
NPC1 O15118 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
ESR1 P03372 1/20 0.38
CHRM1 P11229 1/20 0.38
TSHR P16473 1/20 0.38
SLC6A2 P23975 1/20 0.38
KDR P35968 1/20 0.38
MEN1 O00255 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
SCHEMBL12253191 0.92 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
SCHEMBL502564 0.91 LMNA (0.67) ALDH1A1LMNAMAPK1SMN1; SMN2RAB9A
SCHEMBL5145142 0.90 LMNA (0.66) ALDH1A1LMNAMAPK1SMN1; SMN2POLB
SCHEMBL1123572 0.89 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1SMN1; SMN2POLB
SCHEMBL14877495 0.89 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1SMN1; SMN2POLB
SCHEMBL7205837 0.89 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1SMN1; SMN2POLB
SCHEMBL5331475 0.89 ALDH1A1 (0.65) ALDH1A1LMNAMAPK1SMN1; SMN2POLB
SCHEMBL32669188 0.88 LMNA (0.59) ALDH1A1LMNAMAPK1SMN1; SMN2MAPT
Etocrylene SCHEMBL39390 0.88 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1SMN1; SMN2GAA
Etocrylene SCHEMBL1768864 0.88 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144712-A1 SHAPED ARTIFICIAL POLYMER ARTICLES BASF SE (DE) 2022-05-12 US disclosed
US-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS MUELLER STEFAN (DE) 2012-05-17 US disclosed
US-8119107-B2 Photo-stable cosmetic or dermatological compositions BASF SE (DE) 2012-02-21 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-20120121524-A1 PHOTO-STABLE COSMETIC OR DERMATOLOGICAL COMPOSITIONS NISCH, CUTA, MITF ALDH1A1 241/4885LMNA 1453/4885MAPK1 3838/4885

“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.