SCHEMBL3938865

SCHEMBL3938865

O=C(O)C=CC=C(c1cccc(C(F)(F)F)c1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46
CES2 O00748 1/20 0.44
MAOB P27338 1/20 0.44
GAA P10253 1/20 0.43
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 3/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
KCNK3 O14649 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NR4A2 P43354 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
SCHEMBL3938860 1.00 KDM4E (0.49) KDM4ERAB9ASMN1; SMN2USP2TSHR
SCHEMBL3938858 1.00 KDM4E (0.49) KDM4ERAB9ASMN1; SMN2USP2TSHR
SCHEMBL3939684 0.86 RAB9A (0.41) KDM4ERAB9ASMN1; SMN2USP2TSHR
SCHEMBL3939680 0.86 RAB9A (0.41) KDM4ERAB9ASMN1; SMN2USP2TSHR
SCHEMBL3939676 0.86 RAB9A (0.41) KDM4ERAB9ASMN1; SMN2USP2TSHR
SCHEMBL3941071 0.86 CES2 (0.56) KDM4ENPSR1POLBCES2MAOB
SCHEMBL3940143 0.86 CES2 (0.56) KDM4ENPSR1POLBCES2MAOB
SCHEMBL10399267 0.86 CES2 (0.56) KDM4ENPSR1POLBCES2MAOB
SCHEMBL3944593 0.83 MAOB (0.55) KDM4ENPSR1CES2MAOBGAA
SCHEMBL3944597 0.83 MAOB (0.55) KDM4ENPSR1CES2MAOBGAA

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 KDM4E 212/4885RAB9A 1128/4885SMN1; SMN2 3258/4885

“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.