SCHEMBL13019367

SCHEMBL13019367

COc1nc(C)ccc1OC(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PDE4B Q07343 4/20 0.35
LMNA P02545 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL11963900 0.83 GRM5 (0.38) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL2908835 0.80 PDE4B (0.35) SMN1; SMN2NPC1RAB9ATP53KDM4E
SCHEMBL18726995 0.80 RAB9A (0.35) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL10304986 0.80 RAB9A (0.45) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL17815780 0.80 RORC (0.36) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL17815704 0.79 NPC1 (0.32) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL18149090 0.76 MBOAT4 (0.43) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL15537356 0.76 MBOAT4 (0.44) SMN1; SMN2ALDH1A1HPGDTSHRMEN1
SCHEMBL18150099 0.75 DRD1 (0.37) SMN1; SMN2TP53MAPTALDH1A1PDE4B
SCHEMBL17150183 0.75 KDM4E (0.50) RAB9ATP53KDM4EALDH1A1PDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 SMN1; SMN2 1080/4885NPC1 2473/4885RAB9A 1466/4885

“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.