SCHEMBL10312998

SCHEMBL10312998

CCC(C)n1cc(OC)cc(F)c1=O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
PDE10A Q9Y233 5/20 0.34
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAOB P27338 2/20 0.32
TNF P01375 1/20 0.32
CPS1 P31327 1/20 0.31
GRM2 Q14416 1/20 0.31
MAOA P21397 1/20 0.31
MTNR1B P49286 1/20 0.31
TOP2A P11388 1/20 0.31
TOP2B Q02880 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
SCHEMBL1106489 0.83 TAAR1 (0.34) TAAR1KDM4EALDH1A1MAOBCPS1
SCHEMBL29211993 0.78 FPR2 (0.32)
SCHEMBL1155870 0.71 BRD4 (0.41) TAAR1PDE10AALDH1A1CPS1
SCHEMBL1106492 0.68 BMPR1B (0.40) SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL30874734 0.66 ATR (0.34) SMN1; SMN2ALDH1A1GRM2
SCHEMBL29212004 0.66 ATR (0.34) SMN1; SMN2ALDH1A1GRM2
SCHEMBL28601352 0.65 KDM4E (0.48) PDE4BPDE4DMAPTKDM4EALDH1A1
SCHEMBL24235951 0.62 SMN1; SMN2 (0.58) SMN1; SMN2MAPTKDM4EALDH1A1LMNA
SCHEMBL14706627 0.62 OPRK1 (0.40) PDE10AMAPTALDH1A1LMNANPSR1
SCHEMBL16332889 0.62 LMNA (0.36) MAPTKDM4ELMNAGRM2

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-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 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-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 SMN1; SMN2 4168/4885TAAR1 4037/4885PDE10A 600/4885

“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.