SCHEMBL17684730

SCHEMBL17684730

COC(=O)c1cccc(C=C2CCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.51
▸ P4HB P07237 5/20 0.50
▸ GRIN2D O15399 1/20 0.50
▸ GRIN3B O60391 1/20 0.50
▸ GRIN1 Q05586 1/20 0.50
▸ GRIN2A Q12879 1/20 0.50
▸ GRIN2B Q13224 1/20 0.50
▸ GRIN2C Q14957 1/20 0.50
▸ GRIN3A Q8TCU5 1/20 0.50
▸ LOXL2 Q9Y4K0 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ CYP4F2 P78329 1/20 0.44
▸ CYP4A11 Q02928 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ F2 P00734 3/20 0.43
▸ F10 P00742 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KMT2A Q03164 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
SCHEMBL2948778 0.94 TDP1 (0.53) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL17982822 0.86 TDP1 (0.50) TDP1P4HBGRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL6392671 0.86 TDP1 (0.50) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL6392680 0.84 SRD5A1 (0.50) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL28161452 0.80 SRD5A1 (0.60) TDP1P4HBF2F10MEN1
SCHEMBL4438203 0.79 TDP1 (0.46) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL4438205 0.79 TDP1 (0.46) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL6392515 0.79 GRM5 (0.45) TDP1P4HBGRIN2DGRIN3BGRIN1
SCHEMBL7421058 0.79 MRGPRX4 (0.55) TDP1RAB9AMEN1MAPTKMT2A
SCHEMBL4407110 0.79 P4HB (0.68) TDP1P4HBGRIN2DGRIN3BGRIN1

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-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-05-12 — — US disclosed
EP-3009421-A1 GLYCINE TRANSPORTER INHIBITOR Taisho Pharmaceutical Co., Ltd. (JP) 2016-04-20 — — 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-20160130278-A1 GLYCINE TRANSPORTER INHIBITOR SLC1A2, SLC6A5, SLC18A2 TDP1 1467/4885P4HB 2600/4885GRIN2D 98/4885

“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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