SCHEMBL13011160

SCHEMBL13011160

COC(=O)c1ccc2c3ccccc3n(CCOCC(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCARB1 Q8WTV0 2/20 0.50
▸ PTGER4 P35408 4/20 0.46
▸ PARP1 P09874 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ROCK2 O75116 1/20 0.43
▸ S1PR3 Q99500 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ KIF11 P52732 1/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 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
SCHEMBL13011247 0.88 KDM4E (0.57) PTGER4PARP1KMT2AMEN1ALDH1A1
SCHEMBL13635107 0.86 MEN1 (0.47) SCARB1PTGER4PARP1KMT2AMEN1
SCHEMBL13011164 0.86 PTGER4 (0.52) SCARB1PTGER4PARP1KMT2AMEN1
SCHEMBL13011658 0.83 POLB (0.42) PTGER4KMT2AMEN1ALDH1A1HPGD
SCHEMBL13011578 0.81 TSHR (0.56) SCARB1PTGER4KMT2AMEN1ALDH1A1
SCHEMBL13011163 0.81 PTGER4 (0.50) SCARB1PTGER4PARP1KMT2AALDH1A1
SCHEMBL13011142 0.81 SCARB1 (0.52) SCARB1PTGER4PARP1ALDH1A1HPGD
SCHEMBL3932512 0.81 CNR2 (0.59) SCARB1PTGER4KMT2AALDH1A1HPGD
SCHEMBL13011462 0.80 SCARB1 (0.52) SCARB1PTGER4PARP1ALDH1A1HPGD
SCHEMBL13635121 0.78 PTGER4 (0.60) PTGER4KMT2AMEN1ALDH1A1HPGD

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-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — US disclosed
US-20100324017-A1 ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-12-23 — — 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-20100324017-A1 ACYLGUANIDINE DERIVATIVE HTR5A, GRM5, HTR1E SCARB1 1612/4885PTGER4 1418/4885PARP1 1520/4885

“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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