SCHEMBL720395

SCHEMBL720395

CCCCCCCCOC(=O)c1ncccn1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
TSHR P16473 3/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
MAPK1 P28482 1/20 0.57
KDM4E B2RXH2 2/20 0.56
KDM4A O75164 1/20 0.56
KDM4C Q9H3R0 1/20 0.56
POLB P06746 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ESR1 P03372 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
AKR1C4 P17516 1/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50

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
SCHEMBL28891861 0.93 TSHR (0.58) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL719806 0.85 ALDH1A1 (0.55) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL27684582 0.81 LMNA (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL29184950 0.81 LMNA (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL5935797 0.81 LMNA (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11148883 0.81 LMNA (0.62) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL1269440 0.79 APP (0.63) ALDH1A1TSHRLMNATP53CYP3A4
Calcium SCHEMBL2689056 0.78 APP (0.61) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11005679 0.75 TSHR (0.63) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL11001210 0.75 TSHR (0.63) ALDH1A1TSHRLMNATP53CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA CROP PROTECTION, LLC (US) 2012-03-01 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-20120053053-A1 PYRIMIDINE DERIVATIVES AND THEIR USE AS HERBICIDES DPYD, DHODH, TYMP ALDH1A1 1043/4885TSHR 1099/4885LMNA 4613/4885
US-20120115724-A1 METHOD OF CONTROLLING UNDESIRED VEGETATION TYMS, DHFR, UNG ALDH1A1 3537/4885TSHR 2909/4885LMNA 2223/4885

“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.