SCHEMBL8780587

SCHEMBL8780587

O=C(O)CNCCCc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
FFAR1 O14842 1/20 0.50
LMNA P02545 1/20 0.49
S1PR1 P21453 6/20 0.48
S1PR3 Q99500 4/20 0.48
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48

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
SCHEMBL8780612 0.89 LMNA (0.55) CNR1FFAR1LMNAPLAAT3PLAAT5
SCHEMBL31369771 0.84 SLC6A5 (0.49) S1PR1S1PR3PLAAT3PLAAT5PLAAT2
SCHEMBL158734 0.84 SIGMAR1 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31688891 0.83 RARB (0.51) S1PR1S1PR3S1PR2S1PR5
SCHEMBL1570239 0.80 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31370312 0.79 ALDH1A1 (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL31369624 0.79 S1PR1 (0.55) FFAR1S1PR1S1PR3
SCHEMBL16936556 0.79 CNR1 (0.60) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL6033711 0.79 SIGMAR1 (0.66) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15890850 0.78 S1PR1 (0.81) FFAR1S1PR1S1PR3TAAR1S1PR5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US claimed
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
EP-0551697-B1 Photoinitiator system and photopolymerizable composition using the same HITACHI CHEMICAL CO LTD (JP) 1997-05-14 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-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CNR1 4737/4885HDAC3 4022/4885HDAC4 4386/4885

“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.