SCHEMBL3940238

SCHEMBL3940238

CN(C)CCOc1ccc(/C(=C\C=C\C(=O)O)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.50
BCHE P06276 3/20 0.48
ACHE P22303 3/20 0.48
KDM4E B2RXH2 2/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP1A1 P04798 2/20 0.47
CYP1B1 Q16678 2/20 0.47
MAOB P27338 3/20 0.43
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ESR1 P03372 3/20 0.42
ESR2 Q92731 2/20 0.42

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
SCHEMBL3940250 1.00 ESRRG (0.50) ESRRGBCHEACHEKDM4EPOLB
SCHEMBL3940244 1.00 ESRRG (0.50) ESRRGBCHEACHEKDM4EPOLB
SCHEMBL4088098 0.87 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPPARA
SCHEMBL4088100 0.87 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPPARA
SCHEMBL4088102 0.87 CYP1A1 (0.61) CYP1A1CYP1B1MAOBPPARA
SCHEMBL3947596 0.86 CYP1A1 (0.48) KDM4ECYP1A1CYP1B1MAOBPPARA
SCHEMBL3947604 0.86 CYP1A1 (0.48) KDM4ECYP1A1CYP1B1MAOBPPARA
SCHEMBL3947600 0.86 CYP1A1 (0.48) KDM4ECYP1A1CYP1B1MAOBPPARA
SCHEMBL3940152 0.85 CYP1A1 (0.59) CYP1A1CYP1B1MAOB
SCHEMBL3940154 0.85 CYP1A1 (0.59) CYP1A1CYP1B1MAOB

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 ESRRG 4328/4885BCHE 2071/4885ACHE 1750/4885

“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.