SCHEMBL10078611

SCHEMBL10078611

C=CCN1C(C)=CC(=C(C#N)C#N)C=C1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
KDM4E B2RXH2 7/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.36
USP2 O75604 3/20 0.36
POLB P06746 3/20 0.36
RECQL P46063 2/20 0.36
THRB P10828 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 3/20 0.35
HPGD P15428 3/20 0.35
IDE P14735 1/20 0.34
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10061950 0.80 ALDH1A1 (0.36) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12431236 0.78 ALDH1A1 (0.67) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12432242 0.75 ALDH1A1 (0.68) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL10078608 0.74 ALDH1A1 (0.57) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4336648 0.72 ALDH1A1 (0.90) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL4336677 0.71 ALDH1A1 (0.58) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12841999 0.71 ALDH1A1 (0.53) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12658282 0.71 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12841607 0.71 ALDH1A1 (0.71) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1
SCHEMBL12841719 0.70 ALDH1A1 (0.74) ALDH1A1KDM4ESMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722863-B1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM DSM IP ASSETS BV (NL) 2012-02-08 EP disclosed
US-20120022265-A1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM BERG-SCHULTZ KATJA (CH) 2012-01-26 US disclosed
EP-1861465-B1 CHROMOPHORE COATED METAL OXIDE PARTICLES DSM IP ASSETS BV (NL) 2010-10-13 EP disclosed
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them DSM IP ASSETS B.V. (NL) 2007-08-16 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 (2 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-20120022265-A1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM UACA, UROD, UMPS ALDH1A1 3001/4885KDM4E 3121/4885SMN1; SMN2 4461/4885
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them UACA, UROD, UMPS ALDH1A1 3001/4885KDM4E 3121/4885SMN1; SMN2 4461/4885

“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.