SCHEMBL3938552

SCHEMBL3938552

CCOC(=O)/C=C/C=C(/c1ccccc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.45
CYP1A1 P04798 4/20 0.43
CYP1B1 Q16678 4/20 0.43
MAOB P27338 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
PTGS2 P35354 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PDPK1 O15530 1/20 0.39

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
SCHEMBL3938554 1.00 MAPT (0.45) MAPTCYP1A1CYP1B1MAOBNPSR1
SCHEMBL5692918 0.88 MAPT (0.55) MAPTPTGS2NPC1RAB9AALDH1A1
SCHEMBL10397897 0.88 MAPT (0.55) MAPTPTGS2NPC1RAB9AALDH1A1
SCHEMBL5692921 0.88 MAPT (0.55) MAPTPTGS2NPC1RAB9AALDH1A1
SCHEMBL10399109 0.85 CES2 (0.47) MAPTMAOBNPSR1CYP1A2CYP2C19
SCHEMBL10399108 0.85 CES2 (0.47) MAPTMAOBNPSR1CYP1A2CYP2C19
SCHEMBL10399189 0.85 CES2 (0.47) MAPTMAOBNPSR1CYP1A2CYP2C19
SCHEMBL10397767 0.83 MAPT (0.47) MAPTPTGS2CYP1A2SMN1; SMN2RAB9A
SCHEMBL10397766 0.83 MAPT (0.47) MAPTPTGS2CYP1A2SMN1; SMN2RAB9A
SCHEMBL3944870 0.81 MAOB (0.51) CYP1A1CYP1B1MAOBNR4A1NR4A2

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-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 MAPT 3261/4885CYP1A1 916/4885CYP1B1 382/4885

“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.