SCHEMBL1694673

SCHEMBL1694673

[C]1[C]c2cc3ccccc3nc2CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 2/20 0.42
ACHE P22303 1/20 0.42
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSK P43235 1/20 0.36
KMT2A Q03164 5/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
MEN1 O00255 2/20 0.35
KDM4E B2RXH2 4/20 0.33
GAA P10253 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL3868709 0.76 ACHE (0.42) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL28981243 0.66 ALDH1A1 (0.52) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL4909845 0.66 ALDH1A1 (0.46) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL27709984 0.65 ALDH1A1 (0.94) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL10573026 0.63 ALDH1A1 (0.54) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL9099825 0.63 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL31030237 0.63 ALDH1A1 (0.43) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL3506845 0.63 NPC1 (0.49) ALDH1A1HPGDMAPTGLAACHE
SCHEMBL452908 0.63 NPC1 (0.49) ALDH1A1HPGDMAPTGLAACHE
Acridine SCHEMBL8339 0.62 ALDH1A1 (1.00) ALDH1A1HPGDMAPTGLAACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9085541-B2 Process for producing imine compounds for combating invertebrate pests BASF SE (DE) 2015-07-21 US disclosed
EP-2585443-B1 PROCESS FOR PRODUCING IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2015-02-18 EP disclosed
EP-2585443-A1 PROCESS FOR PRODUCING IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-05-01 EP disclosed
US-20130102462-A1 Process for Producing Imine Compounds for Combating Invertebrate Pests BASF SE (DE) 2013-04-25 US disclosed
WO-2011161130-A1 PROCESS FOR PRODUCING IMINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2011-12-29 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 (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-20130102462-A1 Process for Producing Imine Compounds for Combating Invertebrate Pests TYR, TH, IDO1 ALDH1A1 3191/4885HPGD 2722/4885MAPT 3572/4885

“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.