SCHEMBL3944597

SCHEMBL3944597

O=C(O)C=CC=C(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.55
CES2 O00748 2/20 0.53
LMNA P02545 2/20 0.50
SRD5A2 P31213 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KCNK3 O14649 1/20 0.48
KAT6A Q92794 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
P2RX1 P51575 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
PTGS1 P23219 1/20 0.43

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
SCHEMBL3944593 1.00 MAOB (0.55) MAOBCES2LMNASRD5A2ALDH1A1
SCHEMBL10399267 0.97 CES2 (0.56) MAOBCES2LMNASRD5A2ALDH1A1
SCHEMBL3940143 0.97 CES2 (0.56) MAOBCES2LMNASRD5A2ALDH1A1
SCHEMBL3941071 0.97 CES2 (0.56) MAOBCES2LMNASRD5A2ALDH1A1
SCHEMBL3944874 0.87 MAOB (0.51) MAOBCES2SRD5A2P2RX1PTGS1
SCHEMBL3945472 0.87 MAOB (0.51) MAOBCES2SRD5A2P2RX1PTGS1
SCHEMBL3944870 0.87 MAOB (0.51) MAOBCES2SRD5A2P2RX1PTGS1
SCHEMBL4098610 0.86 RXFP1 (0.46) MAOBCES2LMNASRD5A2ALDH1A1
SCHEMBL4098608 0.86 RXFP1 (0.46) MAOBCES2LMNASRD5A2ALDH1A1
SCHEMBL3945565 0.84 MAOB (0.43) MAOBCES2SRD5A2ALDH1A1KCNK3

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 MAOB 747/4885CES2 3693/4885LMNA 3654/4885

“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.