SCHEMBL6568253

SCHEMBL6568253

[CH]c1cc(OC(F)(F)F)ccc1OC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.42
ALPL P05186 5/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
RUNX1 Q01196 2/20 0.39
CRHR1 P34998 2/20 0.39
PDE4B Q07343 1/20 0.38
SCN5A Q14524 1/20 0.38
GRIN2B Q13224 1/20 0.38

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
SCHEMBL6568256 1.00 GPR3 (0.42) GPR3ALPLCA12CA1CA2
SCHEMBL12422184 0.82 CA12 (0.61) GPR3CA12CA1CA2CA7
SCHEMBL2090959 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL2090961 0.80 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL5158453 0.79 ALDH1A1 (0.46) GPR3ALPLCA12CA1CA2
SCHEMBL8302095 0.79 GPR3 (0.44) GPR3ALPLCA12CA1CA2
SCHEMBL6417045 0.78 GPR3 (0.42) GPR3ALPLCA12CA1CA2
SCHEMBL1047194 0.78 MRGPRX4 (0.45) GPR3ALPLCA12CA1CA2
SCHEMBL4513429 0.78 TUBB4A (0.53) GPR3ALPL
SCHEMBL5114311 0.78 ALDH1A1 (0.63) GPR3ALPLCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1483227-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE Pfizer Products Inc. (US) 2004-12-08 EP disclosed
US-6686507-B2 IMINATION BY REACTING WITH A NITROANILINE; ISOLATING SOLID; LIQUEFACTION AND CONVERTING BACK PFIZER INC 2004-02-03 US disclosed
US-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde PFIZER INC. 2003-09-18 US disclosed
WO-2003074462-A1 THE PURIFICATION OF 2-METHOXY-5-TRIFLUOROMETHOXYBENZALDEHYDE PFIZER PRODUCTS INC. (US) 2003-09-12 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-20030176741-A1 Purification of 2-methoxy-5-trifluoromethoxybenzaldehyde TH, PNMT, INMT GPR3 3251/4885ALPL 3076/4885CA12 4535/4885

“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.