SCHEMBL3211645

SCHEMBL3211645

C#CCOc1ccc(C[CH2])cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.52
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
CA2 P00918 2/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 2/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ATM Q13315 2/20 0.41
CALM1 P0DP23 1/20 0.41

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
SCHEMBL3211659 0.85 DRD2 (0.53) DRD2MAOBMAOACA2CA12
SCHEMBL19806086 0.84 POLB (0.52) DRD2MAOBMAOACA2CA12
SCHEMBL29975770 0.84 DRD2 (0.52) DRD2MAOBMAOACA2CA12
SCHEMBL19806087 0.84 DRD2 (0.52) DRD2MAOBMAOACA2CA12
SCHEMBL22916096 0.83 ALDH1A1 (0.69) ALDH1A1PPARGPPARDPPARAKDM4E
SCHEMBL22916119 0.83 DRD2 (0.51) DRD2MAOBMAOACA2CA12
SCHEMBL22916143 0.83 DRD2 (0.51) DRD2MAOBMAOACA2CA12
Hydrochloric Acid SCHEMBL5708176 0.83 DRD2 (0.51) DRD2MAOBMAOACA2CA12
SCHEMBL1929081 0.81 CA2 (0.43) DRD2CA2ALDH1A1PPARGPPARD
SCHEMBL6660288 0.81 ATM (0.68) DRD2MAOBMAOACA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415272-B2 Quinoline derivatives and their use as fungicides SYNGENTA CROP PROTECTION LLC (US) 2013-04-09 US disclosed
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-05-06 US disclosed
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US 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-20100056570-A1 FUNGICIDES CYP21A2, CYP51A1, CYP4X1 DRD2 2140/4885MAOB 731/4885MAOA 496/4885
US-20100113513-A1 QUINOLINE DERIVATIVES AS FUNGICIDES CYP1A1, CYP4X1, CYP3A7 DRD2 984/4885MAOB 956/4885MAOA 623/4885
US-20100280068-A1 QUINOLINE DERIVATIVES AND THEIR USE AS FUNGICIDES CYP1A1, CYP3A7, CYP1A2 DRD2 955/4885MAOB 1003/4885MAOA 761/4885

“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.