SCHEMBL3964037

SCHEMBL3964037

O=C1CCCC(c2ccc(O)cc2)C1

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 18/20 0.74
ESR1 P03372 6/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
MAPT P10636 1/20 0.45
DEGS1 O15121 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
SCHEMBL2150278 0.89 ESR2 (0.78) ESR2ESR1CYP3A4CYP2C9
SCHEMBL2150282 0.89 ESR2 (0.78) ESR2ESR1CYP3A4CYP2C9
SCHEMBL18258347 0.85 ESR2 (1.00) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL28158911 0.85 ESR2 (1.00) ESR2ESR1CYP3A4CYP2D6CYP2C9
SCHEMBL18980759 0.81 ESR2 (0.50) ESR2MAPT
SCHEMBL718300 0.81 ESR2 (0.50) ESR2CYP3A4CYP2D6CYP2C9MAPT
SCHEMBL715319 0.81 ESR2 (0.50) ESR2MAPT
SCHEMBL714856 0.81 ESR2 (0.50) ESR2MAPT
SCHEMBL3668278 0.81 ESR2 (0.50) ESR2MAPT
SCHEMBL17996691 0.81 ESR2 (0.50) ESR2CYP3A4CYP2C9MAPT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9850206-B2 S1P and/or ATX modulating agents BIOGEN MA INC. (US) 2017-12-26 US disclosed
EP-2925721-B1 S1P AND/OR ATX MODULATING AGENTS BIOGEN MA INC (US) 2017-06-07 EP disclosed
US-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2009-12-03 US disclosed
US-7569727-B2 N-{(4-{3-[2,6-dichloro-4-(3,3-dichloro-allyloxy)-phenoxy]-propoxy}-phenyl)-[(E)-ethoxyimino]-methyl}-2,2,2-trifluoroacetamide; exhibit valuable preventive and/or curative activity even at low rates of concentration, while being well tolerated by warm-blooded animals, fish and plants SYNGENTA CROP PROTECTION, INC. (US) 2009-08-04 US disclosed
EP-2082005-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS Pleotint, L.L.C. (US) 2009-07-29 EP disclosed
EP-2080752-A1 Pesticidally active ketone and oxime derivatives Syngenta Participations AG (CH) 2009-07-22 EP disclosed
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-08-21 US disclosed
WO-2008028128-A1 LIGAND EXCHANGE THERMOCHROMIC, (LETC), SYSTEMS PLEOTINT, L.L.C. (US) 2008-03-06 WO disclosed
US-20060128670-A1 Pesticidally active ketone and oxime derivatives SYNGENTA CROP PROTECTION, INC. 2006-06-15 US disclosed
EP-1638924-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES Syngenta Participations AG (CH) 2006-03-29 EP disclosed
WO-2004113273-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2004-12-29 WO 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 (3 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-20090298898-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 ESR2 1035/4885ESR1 2109/4885CYP3A4 428/4885
US-20060128670-A1 Pesticidally active ketone and oxime derivatives CHRM2, CHRM1, DDT ESR2 1127/4885ESR1 2554/4885CYP3A4 445/4885
US-20080200525-A1 PESTICIDALLY ACTIVE KETONE AND OXIME DERIVATIVES CHRM2, FOXO3, CHRM1 ESR2 1035/4885ESR1 2109/4885CYP3A4 428/4885

“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.