SCHEMBL1828577

SCHEMBL1828577

CCC(CCCC=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.41
NR1I2 O75469 1/20 0.40
LMNA P02545 2/20 0.38
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
AOX1 Q06278 1/20 0.35
HTR2A P28223 2/20 0.34
HRH1 P35367 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL6013632 0.89 CCR5 (0.42) CCR5NR1I2LMNACYP2D6CYP1A2
SCHEMBL27750549 0.83 ACP3 (0.36) NR1I2LMNATSHR
SCHEMBL6414312 0.83 TSHR (0.44) NR1I2CYP2D6CYP1A2SIGMAR1KDM4E
SCHEMBL4635803 0.82 LMNA (0.38) CCR5NR1I2LMNACYP2D6SMN1; SMN2
SCHEMBL5853738 0.81 LMNA (0.37) CCR5NR1I2LMNACYP2D6CYP1A2
SCHEMBL17183749 0.81 NR1I2 (0.39) CCR5NR1I2LMNACYP2D6CYP1A2
SCHEMBL19511878 0.81 POLB (0.42) NR1I2CYP2D6CYP1A2KDM4EALDH1A1
SCHEMBL5853744 0.81 LMNA (0.37) CCR5NR1I2LMNACYP2D6CYP1A2
SCHEMBL1144366 0.79 CCR5 (0.44) CCR5NR1I2LMNACYP2D6SIGMAR1
SCHEMBL7235720 0.79 HRH1 (0.54) SIGMAR1HTR2AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2316025-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS Eberhard-Karls-Universität Tübingen Universitätsklinikum (DE) 2011-05-04 EP claimed
WO-2010017986-A1 MEANS FOR THE DETECTION AND TREATMENT OF PROSTATE CELLS Eberhard-Karls-Universität Tübingen Universitätsklinikum (DE) 2010-02-18 WO claimed
US-7064122-B2 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. (US) 2006-06-20 US disclosed
EP-1467978-A4 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARM INC (US) 2005-11-02 EP disclosed
EP-1467978-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI Pharmaceuticals, Inc. (US) 2004-10-20 EP disclosed
US-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use OSI PHARMACEUTICALS, INC. 2003-10-16 US disclosed
WO-2003053944-A1 PANCREATIC LIPASE INHIBITOR COMPOUNDS, THEIR SYNTHESIS AND USE OSI PHARMACEUTICALS, INC. (US) 2003-07-03 WO 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-20030195199-A1 Pancreatic lipase inhibitor compounds, their synthesis and use PNLIP, LIPC, CEL CCR5 591/4885NR1I2 630/4885LMNA 2092/4885

“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.