SCHEMBL3014782

SCHEMBL3014782

CCC1=C(C)N2CCN1C(C(=O)OC)C2

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP2 P08253 2/20 0.33
ANPEP P15144 2/20 0.33
CXCR3 P49682 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GFER P55789 1/20 0.32
BRD4 O60885 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MEN1 O00255 1/20 0.30

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
SCHEMBL3016719 0.88 ALDH1A1 (0.38) FKBP1AALDH1A1KMT2AMAPK1MEN1
SCHEMBL3014995 0.88 FKBP1A (0.33) FKBP1AALDH1A1KMT2AGAAMAPK1
SCHEMBL3009557 0.82 ALDH1A1 (0.37) FKBP1AALDH1A1KMT2AMMP2ANPEP
SCHEMBL3019564 0.76 ALDH1A1 (0.38) FKBP1AALDH1A1KMT2AMEN1
SCHEMBL3018295 0.73 ALDH1A1 (0.40) FKBP1AALDH1A1KMT2AGAACHRM2
SCHEMBL3013824 0.67 KMT2A (0.38) ALDH1A1KMT2AMMP2ANPEPNR1H2
SCHEMBL3020130 0.66 ALDH1A1 (0.37) ALDH1A1KMT2AMMP2ANPEPBRD4
SCHEMBL28293698 0.64 MMP2 (0.44) FKBP1AALDH1A1MMP2ANPEPBRD4
SCHEMBL3014714 0.64 CHRM2 (0.37) ALDH1A1GAACHRM2CHRM4CHRM5
SCHEMBL3014713 0.64

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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2010-08-12 US disclosed
EP-2197882-A2 METHOD FOR PRODUCING TEDA DERIVATIVES Basf Se (DE) 2010-06-23 EP disclosed
WO-2009030649-A2 METHOD FOR PRODUCING TEDA DERIVATIVES BASF SE (DE) 2009-03-12 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-20100204438-A1 METHOD FOR PRODUCING TEDA DERIVATIVES TES, TRRAP, NAAA FKBP1A 710/4885ALDH1A1 720/4885KMT2A 98/4885

“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.