SCHEMBL5552108

SCHEMBL5552108

CCOc1cnc(C)cc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 7/20 0.47
▸ SLC6A4 P31645 7/20 0.47
▸ SLC6A3 Q01959 7/20 0.47
▸ AOC3 Q16853 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PDPK1 O15530 1/20 0.39
▸ GRM5 P41594 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ UHRF1 Q96T88 1/20 0.37

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
SCHEMBL20676684 0.90 KDM4E (0.46) SLC6A2SLC6A4SLC6A3KDM4EMAPT
SCHEMBL15382533 0.84 UHRF1 (0.45) SLC6A2SLC6A4SLC6A3AOC3HSD17B10
SCHEMBL17404964 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3AOC3HSD17B10
SCHEMBL19005156 0.81 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3AOC3KDM4E
SCHEMBL18986020 0.81 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3AOC3HSD17B10
SCHEMBL17150171 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3AOC3HSD17B10
SCHEMBL17707979 0.78 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3KDM4EHPGD
SCHEMBL5552104 0.76 AOC3 (0.39) AOC3HSD17B10KDM4EMEN1ALDH1A1
SCHEMBL11853091 0.75 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3
SCHEMBL11491934 0.74 TSHR (0.58) AOC3HSD17B10KDM4EMEN1ALDH1A1

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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient MITSUI CHEMICALS, INC. (JP) 2007-10-18 — — US disclosed
EP-1770085-A1 DIAMINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME AND FUNGICIDE CONTAINING THE DERIVATIVE AS ACTIVE INGREDIENT Mitsui Chemicals, Inc. (JP) 2007-04-04 — — 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-20070244153-A1 Diamine Derivative, Process of Preparation Thereof, and Fungicide Comprising Diamine Derivative as an Active Ingredient DDT, AOC1, QDPR SLC6A2 3582/4885SLC6A4 3006/4885SLC6A3 1505/4885

“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.

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