SCHEMBL7524665

SCHEMBL7524665

C=C(CO)C1CCC(CCCCC)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP1A2 P05177 3/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
CCR2 P41597 1/20 0.38
LSS P48449 2/20 0.36
MAPT P10636 2/20 0.35
EPHX1 P07099 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33

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
SCHEMBL21321660 0.93 HTT (0.41) HTTLMNAMAPK1PKMMEN1
SCHEMBL12889682 0.86 LMNA (0.38) HTTLMNAMAPK1PKMMEN1
SCHEMBL5791003 0.86 LMNA (0.38) HTTLMNAMAPK1PKMMEN1
SCHEMBL19722530 0.82 HTT (0.38) HTTLMNAMAPK1PKMMEN1
SCHEMBL8221950 0.81 CYP1A2 (0.43) HTTLMNAMAPK1PKMMEN1
SCHEMBL19722267 0.79 PKM (0.39) HTTLMNAMAPK1PKMMEN1
SCHEMBL17253123 0.78 MEN1 (0.48) HTTLMNAMAPK1PKMMEN1
Methyl Alcohol SCHEMBL10916312 0.77 CYP1A2 (0.56) HTTLMNAMAPK1PKMMEN1
SCHEMBL21322110 0.77 CYP1A2 (0.41) HTTLMNAMAPK1PKMMEN1
SCHEMBL183947 0.77

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-20020015804-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2002-02-07 US disclosed
EP-0976703-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CHISSO CORPORATION (JP) 2000-02-02 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-20020015804-A1 LIQUID-CRYSTAL COMPOUNDS, LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME, AND LIQUID-CRYSTAL DISPLAY ELEMENT CONTAINING THE SAME CXCR1, CCR1, CXCR2 HTT 2967/4885LMNA 3295/4885MAPK1 1656/4885

“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.