SCHEMBL3356943

SCHEMBL3356943

[CH2]C(C)(C)c1ccc(N)cc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.44
ALDH1A1 P00352 3/20 0.36
TSHR P16473 4/20 0.35
POLB P06746 2/20 0.35
GAA P10253 2/20 0.35
GLA P06280 1/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 4/20 0.32
PDE10A Q9Y233 1/20 0.32
RECQL P46063 1/20 0.31

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
SCHEMBL398357 0.81 CASP1 (0.48) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL27776101 0.80 CYP3A4 (0.50) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL9503076 0.76 CASP1 (0.43) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL10582996 0.74 MAPT (0.43) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL20869790 0.74 CASP1 (0.41) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL11512947 0.74 CASP1 (0.41) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL28785557 0.74 CYP3A4 (0.48) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL711538 0.71 TSHR (0.60) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL27984678 0.71 CASP1 (0.42) CASP1ALDH1A1TSHRPOLBGAA
SCHEMBL29460325 0.71 TSHR (0.60) CASP1ALDH1A1TSHRPOLBGAA

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-10208031-B2 Photocrosslinkable materials comprising alicyclic group ROLIC AG (CH) 2019-02-19 US disclosed
EP-2152660-B1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2016-05-11 EP disclosed
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2010-02-25 US disclosed
EP-2152660-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP Rolic AG (CH) 2010-02-17 EP disclosed
WO-2008145225-A2 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP ROLIC AG (CH) 2008-12-04 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 (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-10208031-B2 Photocrosslinkable materials comprising alicyclic group DDC, ALAD, DYNC1LI1 CASP1 934/4885ALDH1A1 97/4885TSHR 4828/4885
US-20100048849-A1 PHOTOCROSSLINKABLE MATERIALS COMPRISING ALICYCLIC GROUP DDC, ALAD, DYNC1LI1 CASP1 934/4885ALDH1A1 97/4885TSHR 4828/4885

“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.