SCHEMBL13011247

SCHEMBL13011247

CC(C)COCCn1c2ccccc2c2ccc(C(=O)O)cc21

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.55
▸ HPGD P15428 2/20 0.55
▸ PARP1 P09874 1/20 0.51
▸ PTGER4 P35408 5/20 0.48
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ FABP3 P05413 1/20 0.43
▸ FABP4 P15090 1/20 0.43
▸ FABP5 Q01469 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ PSEN1 P49768 4/20 0.42
▸ PSEN2 P49810 4/20 0.42
▸ APH1B Q8WW43 4/20 0.42
▸ NCSTN Q92542 4/20 0.42
▸ APH1A Q96BI3 4/20 0.42
▸ PSENEN Q9NZ42 4/20 0.42

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
SCHEMBL13011160 0.88 SCARB1 (0.50) KDM4EALDH1A1HPGDPARP1PTGER4
SCHEMBL13635107 0.88 MEN1 (0.47) KDM4EALDH1A1HPGDPARP1PTGER4
SCHEMBL13011658 0.85 POLB (0.42) KDM4EALDH1A1HPGDPTGER4MEN1
SCHEMBL13011241 0.84 PTGER4 (0.57) KDM4EALDH1A1HPGDPARP1PTGER4
SCHEMBL13011269 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HPGDPARP1PTGER4
SCHEMBL13011140 0.80 ALDH1A1 (0.56) KDM4EALDH1A1HPGDPARP1PTGER4
SCHEMBL13011141 0.80 ALDH1A1 (0.56) KDM4EALDH1A1HPGDPARP1PTGER4
SCHEMBL13635121 0.80 PTGER4 (0.60) KDM4EALDH1A1HPGDPTGER4MEN1
SCHEMBL8803334 0.77 ALDH1A1 (0.62) KDM4EALDH1A1HPGDPARP1FABP3
SCHEMBL27722947 0.76 ALDH1A1 (0.65) KDM4EALDH1A1HPGDPARP1PTGER4

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 KDM4E 731/4885ALDH1A1 2104/4885HPGD 960/4885

“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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