SCHEMBL3746973

SCHEMBL3746973

[CH2]Oc1cccc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MITF O75030 1/20 0.50
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
NLRP1 Q9C000 1/20 0.50
NOD2 Q9HC29 1/20 0.50
MAOB P27338 3/20 0.47
MAOA P21397 2/20 0.47
HPGD P15428 2/20 0.44
FURIN P09958 2/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
LMNA P02545 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL16890736 0.89 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL2093622 0.83 LTA4H (0.57) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL8616602 0.83 MAOA (0.58) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3716891 0.81 MAOA (0.52) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL29349910 0.81 MAOA (0.52) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL3746980 0.80 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12260796 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12031068 0.80 HTT (0.53) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL2092307 0.80 MAOB (0.47) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL27018972 0.78 CYP1A2 (0.58) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A

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-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 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 (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-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT ALDH1A1 651/4885SMN1; SMN2 3614/4885MEN1 1227/4885

“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.