SCHEMBL3939639

SCHEMBL3939639

CC(C)Oc1cccc(/C(=C\C=C\C(=O)O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALOX12 P18054 3/20 0.44
GAA P10253 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
CCR6 P51684 1/20 0.44
MAOB P27338 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
PTPN5 P54829 1/20 0.41
KDR P35968 1/20 0.40
HTT P42858 2/20 0.39
NR4A2 P43354 2/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 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
SCHEMBL3939647 1.00 MEN1 (0.44) MEN1KMT2AALOX12GAAALDH1A1
SCHEMBL3939644 1.00 MEN1 (0.44) MEN1KMT2AALOX12GAAALDH1A1
SCHEMBL3943274 0.90 KMT2A (0.47) MEN1KMT2AALDH1A1MAOBPTPN5
SCHEMBL3943269 0.90 KMT2A (0.47) MEN1KMT2AALDH1A1MAOBPTPN5
SCHEMBL3943273 0.90 KMT2A (0.47) MEN1KMT2AALDH1A1MAOBPTPN5
SCHEMBL3942282 0.89 CYP1A1 (0.48) MAOBKDRNPC1RAB9ACYP3A4
SCHEMBL3942285 0.89 CYP1A1 (0.48) MAOBKDRNPC1RAB9ACYP3A4
SCHEMBL3942276 0.89 CYP1A1 (0.48) MAOBKDRNPC1RAB9ACYP3A4
SCHEMBL4088042 0.86 ESR1 (0.42) GAAALDH1A1MAOBKDRNR4A2
SCHEMBL4088046 0.86 ESR1 (0.42) GAAALDH1A1MAOBKDRNR4A2

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 MEN1 291/4885KMT2A 772/4885ALOX12 3617/4885

“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.